SCHEMBL795594

SCHEMBL795594

CCOc1cccc(C(c2ccccn2)n2nc(C(=O)O)c3c2-c2ccc(OCc4cncnc4)cc2CC3)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.34
▸ CYP19A1 P11511 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GPR132 Q9UNW8 2/20 0.32
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ FFAR1 O14842 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ NFKB1 P19838 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7913269 0.93 ROCK2 (0.34) ROCK2CYP19A1CYP11B1CYP11B2LMNA
SCHEMBL7913410 0.89 FFAR1 (0.36) ROCK2FFAR1CYP2C9HCAR2S1PR1
SCHEMBL7903246 0.88 KDM4E (0.35) ROCK2CYP19A1CYP11B1CYP11B2LMNA
SCHEMBL7913240 0.88 ROCK2 (0.34) ROCK2CYP19A1CYP11B1CYP11B2LMNA
SCHEMBL29922027 0.87 ROCK2 (0.34) ROCK2CYP19A1CYP11B1CYP11B2LMNA
SCHEMBL1150210 0.87 ROCK2 (0.34) ROCK2CYP19A1CYP11B1CYP11B2LMNA
SCHEMBL7911578 0.86 BCL2 (0.35) ROCK2CYP19A1CYP11B1CYP11B2LMNA
SCHEMBL7917122 0.86 ROCK2 (0.34) ROCK2CYP19A1CYP11B1CYP11B2LMNA
SCHEMBL7903224 0.85 CYP19A1 (0.34) ROCK2CYP19A1CYP11B1CYP11B2LMNA
SCHEMBL7911557 0.85 FFAR1 (0.35) ROCK2CYP19A1CYP11B1CYP11B2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828368-B2 Therapeutic treatments using centhaquin MIDWESTERN UNIVERSITY (US) 2020-11-10 — — US disclosed
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin MIDWESTERN UNIVERISTY 2018-03-29 — — US disclosed
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin MIDWESTERN UNIVERISTY 2018-03-29 — — US disclosed
EP-2424530-B1 METHOD AND COMPOSITION FOR TREATING DIABETIC KETOACIDOSIS UNIV MIDWESTERN (US) 2015-12-16 — — EP disclosed
US-8980874-B2 Method and composition for treating diabetic ketoacidosis MIDWESTERN UNIVERSITY (US) 2015-03-17 — — US disclosed
US-8980222-B2 Diagnostic use of endothelin ETB receptor agonists and ETA receptor antagonists in tumor imaging THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-17 — — US disclosed
US-8980222-B2 Diagnostic use of endothelin ETB receptor agonists and ETA receptor antagonists in tumor imaging THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-17 — — US disclosed
US-8980874-B2 Method and composition for treating diabetic ketoacidosis MIDWESTERN UNIVERSITY (US) 2015-03-17 — — US disclosed
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-08-29 — — US disclosed
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-08-29 — — US disclosed
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-08 — — US disclosed
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-08 — — US disclosed
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-06 — — US disclosed
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-06 — — US disclosed
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging DONEHEW FUND LIMITED PARTNERSHIP 2008-10-23 — — US disclosed
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging DONEHEW FUND LIMITED PARTNERSHIP 2008-10-23 — — US disclosed
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic UNIVERSITY OF ILLINOIS CHICAGO (US) 2008-08-28 — — US disclosed
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic UNIVERSITY OF ILLINOIS CHICAGO (US) 2008-08-28 — — US disclosed
US-7351692-B2 Method and composition for potentiating the antipyretic action of a nonopioid analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-04-01 — — US disclosed
US-7351692-B2 Method and composition for potentiating the antipyretic action of a nonopioid analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-04-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10828368-B2 Therapeutic treatments using centhaquin ADRA2A, ADRB3, HSPH1 ROCK2 729/4885CYP19A1 4621/4885CYP11B1 987/4885
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic OPRK1, OPRL1, OPRM1 ROCK2 2186/4885CYP19A1 1932/4885CYP11B1 562/4885
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging EDNRB, EDNRA, ECE1 ROCK2 1603/4885CYP19A1 2513/4885CYP11B1 1473/4885
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic COX15, PTGER3, PTGER4 ROCK2 1522/4885CYP19A1 1268/4885CYP11B1 74/4885
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin PSEN1, PSEN2, CHAT ROCK2 533/4885CYP19A1 1022/4885CYP11B1 572/4885
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN PSEN1, PSEN2, CHAT ROCK2 533/4885CYP19A1 1022/4885CYP11B1 572/4885
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin ADRB3, ADRA2A, ADRB2 ROCK2 372/4885CYP19A1 4737/4885CYP11B1 1089/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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