SCHEMBL5598850

SCHEMBL5598850

O=C(/C=C/c1cccnc1)/C=C/c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 1.00
▸ RAB9A P51151 3/20 1.00
▸ KDM4E B2RXH2 2/20 1.00
▸ JUN P05412 2/20 1.00
▸ NFKB1 P19838 2/20 1.00
▸ NPC1 O15118 2/20 1.00
▸ MAPK1 P28482 1/20 1.00
▸ GPR55 Q9Y2T6 1/20 1.00
▸ PFKFB3 Q16875 1/20 0.67
▸ KMT2A Q03164 1/20 0.63
▸ CYP1A2 P05177 8/20 0.59
▸ CYP1A1 P04798 7/20 0.59
▸ CYP1B1 Q16678 7/20 0.59
▸ APAF1 O14727 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ CYP11B1 P15538 1/20 0.59
▸ CYP11B2 P19099 1/20 0.59
▸ USP2 O75604 1/20 0.58

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
SCHEMBL5598852 1.00 MAPT (1.00) MAPTRAB9AKDM4EJUNNFKB1
Hydrochloric Acid SCHEMBL11971085 0.98 MAPT (0.96) MAPTRAB9AKDM4EJUNNFKB1
Hydrochloric Acid SCHEMBL11971079 0.98 MAPT (0.96) MAPTRAB9AKDM4EJUNNFKB1
SCHEMBL16093039 0.94 MAPT (0.89) MAPTRAB9AKDM4EJUNNFKB1
SCHEMBL28356916 0.90 MAPT (0.81) MAPTRAB9AKDM4EJUNNFKB1
SCHEMBL334614 0.86 RAB9A (0.76) MAPTRAB9AKDM4EJUNNFKB1
SCHEMBL755249 0.86 RAB9A (0.76) MAPTRAB9AKDM4EJUNNFKB1
SCHEMBL334615 0.86 RAB9A (0.76) MAPTRAB9AKDM4EJUNNFKB1
SCHEMBL29416684 0.86 RAB9A (0.76) MAPTRAB9AKDM4EJUNNFKB1
SCHEMBL6848207 0.85 RAB9A (0.73) MAPTRAB9AKDM4EJUNNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220152001-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2022-05-19 — — US disclosed
US-20200383958-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-12-10 — — US disclosed
US-10751330-B2 Human therapeutic agents ANKH LIFE SCIENCES LIMITED (IE) 2020-08-25 — — US disclosed
US-10744124-B2 Human therapeutic agents ANKH LIFE SCIENCES LIMITED (IE) 2020-08-18 — — US disclosed
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LIMITED (IE) 2020-05-14 — — US disclosed
EP-3275465-B1 THERAPEUTIC COMPOSITIONS COMPRISING A COMBINATION OF A HARMINE AND ISOVANILLIN COMPONENT ANKH LIFE SCIENCES LTD (IE) 2020-05-06 — — EP disclosed
US-10576067-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof ANKH LIFE SCIENCES LIMITED (IE) 2020-03-03 — — US disclosed
US-10471049-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof ANKH LIFE SCIENCES LIMITED (IE) 2019-11-12 — — US disclosed
US-20190231756-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF ANKH LIFE SCIENCES LIMITED (IE) 2019-08-01 — — US disclosed
EP-3188721-B1 HUMAN THERAPEUTIC AGENTS ANKH LIFE SCIENCES LTD (IE) 2019-06-12 — — EP disclosed
US-20140271470-A1 TARGETED THERANOSTICS FOR METASTATIC PROSTATE CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2014-09-18 — — US disclosed
US-20140271470-A1 TARGETED THERANOSTICS FOR METASTATIC PROSTATE CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2014-09-18 — — US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 — — US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 — — US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 — — US disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 — — WO disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 — — US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 — — US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 — — US disclosed
US-20060276536-A1 Cancer treatment using curcumin derivatives STC.UNM 2006-12-07 — — 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 (12 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-10744124-B2 Human therapeutic agents INMT, HNMT, HASPIN MAPT 497/4885RAB9A 2823/4885KDM4E 3586/4885
US-20190231756-A1 THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF INMT, HNMT, COMT MAPT 198/4885RAB9A 2274/4885KDM4E 1842/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 MAPT 448/4885RAB9A 2062/4885KDM4E 3658/4885
US-10751330-B2 Human therapeutic agents INMT, HNMT, HASPIN MAPT 497/4885RAB9A 2823/4885KDM4E 3586/4885
US-20140271470-A1 TARGETED THERANOSTICS FOR METASTATIC PROSTATE CANCER KLK3, ACP3, FOLH1 MAPT 296/4885RAB9A 1978/4885KDM4E 4234/4885
US-20220152001-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN MAPT 497/4885RAB9A 2823/4885KDM4E 3586/4885
US-10471049-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof INMT, HNMT, COMT MAPT 198/4885RAB9A 2274/4885KDM4E 1842/4885
US-20200147061-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN MAPT 497/4885RAB9A 2823/4885KDM4E 3586/4885
US-20200383958-A1 HUMAN THERAPEUTIC AGENTS INMT, HNMT, HASPIN MAPT 497/4885RAB9A 2823/4885KDM4E 3586/4885
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB MAPT 4863/4885RAB9A 2226/4885KDM4E 854/4885
US-10576067-B2 Therapeutic compositions containing harmine and isovanillin components, and methods of use thereof INMT, HNMT, COMT MAPT 198/4885RAB9A 2274/4885KDM4E 1842/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 MAPT 2066/4885RAB9A 2661/4885KDM4E 2055/4885

“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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