SCHEMBL9089904

SCHEMBL9089904

COC(=O)C1=C(C)NC(C)=C(C(=O)OC(=O)C2=C(C)NC(C)=C(C(=O)OC)C2c2cccc([N+](=O)[O-])c2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.81
MEN1 O00255 3/20 0.81
KMT2A Q03164 3/20 0.81
MAPT P10636 3/20 0.81
CYP1A2 P05177 2/20 0.81
CYP3A4 P08684 2/20 0.81
CYP2C9 P11712 2/20 0.81
CYP2C19 P33261 2/20 0.81
LMNA P02545 1/20 0.81
POLB P06746 1/20 0.81
MAPK1 P28482 1/20 0.81
GPR55 Q9Y2T6 1/20 0.81
CYP2D6 P10635 1/20 0.81
TSHR P16473 1/20 0.81
NFKB1 P19838 1/20 0.81
THPO P40225 1/20 0.81
NR3C2 P08235 1/20 0.80
CACNA1F O60840 4/20 0.73
CACNA1D Q01668 4/20 0.73
CACNA1S Q13698 4/20 0.73

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
SCHEMBL9085813 1.00 HIF1A (0.81) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9089580 1.00 HIF1A (0.81) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9085808 1.00 HIF1A (0.81) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL6455299 0.96 HIF1A (0.87) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL30648615 0.96 HIF1A (0.87) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL9698949 0.95 HIF1A (0.85) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL4661064 0.95 HIF1A (0.85) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL10464260 0.95 HIF1A (0.85) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL6455316 0.92 MAPT (0.80) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL10596995 0.92 HIF1A (0.80) HIF1AMEN1KMT2AMAPTCYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576439-A Dihydropyridinecarboxylic acid anhydrides CIBA-GEIGY CORPORATION (US) 1996-11-19 US claimed
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-8410148-B2 Method and composition for potentiating an opiate analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-04-02 US disclosed
US-8114896-B2 Method and composition for potentiating an opiate analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-14 US disclosed
US-7976835-B2 Methods and compositions for preventing and treating solid tumors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-07-12 US disclosed
US-20100311665-A1 Method and Composition for Potentiating an Opiate Analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-12-09 US disclosed
US-20100184725-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-22 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-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-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 (6 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-20100184725-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin PSEN1, PSEN2, CHAT HIF1A 809/4885MEN1 1564/4885KMT2A 3240/4885
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic OPRK1, OPRL1, OPRM1 HIF1A 351/4885MEN1 4455/4885KMT2A 4264/4885
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging EDNRB, EDNRA, ECE1 HIF1A 537/4885MEN1 308/4885KMT2A 4182/4885
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic COX15, PTGER3, PTGER4 HIF1A 385/4885MEN1 1456/4885KMT2A 4769/4885
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin PSEN1, PSEN2, CHAT HIF1A 809/4885MEN1 1564/4885KMT2A 3240/4885
US-20100311665-A1 Method and Composition for Potentiating an Opiate Analgesic OPRK1, OPRL1, OPRM1 HIF1A 351/4885MEN1 4455/4885KMT2A 4264/4885

“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.