SCHEMBL9605429

SCHEMBL9605429

Oc1ccc(/C=C/c2cccnc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.70
CYP11B2 P19099 1/20 0.70
RAB9A P51151 4/20 0.63
KMT2A Q03164 3/20 0.63
MAPT P10636 2/20 0.63
ALOX5 P09917 3/20 0.59
PTGS1 P23219 2/20 0.59
PTGS2 P35354 2/20 0.59
NPC1 O15118 2/20 0.56
KDM4E B2RXH2 2/20 0.56
JUN P05412 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.50
PFKFB3 Q16875 1/20 0.49
VCP P55072 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GRM4 Q14833 1/20 0.47

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
SCHEMBL11067984 1.00 CYP11B1 (0.70) CYP11B1CYP11B2RAB9AKMT2AMAPT
SCHEMBL11067983 1.00 CYP11B1 (0.70) CYP11B1CYP11B2RAB9AKMT2AMAPT
SCHEMBL29419007 0.89 CYP11B1 (0.86) CYP11B1CYP11B2RAB9AKMT2AMAPT
SCHEMBL28356916 0.86 MAPT (0.81) CYP11B1CYP11B2RAB9AKMT2AMAPT
SCHEMBL29691639 0.85 CYP11B1 (0.86) CYP11B1CYP11B2RAB9AKMT2AMAPT
SCHEMBL29691623 0.85 CYP11B1 (0.86) CYP11B1CYP11B2RAB9AKMT2AMAPT
SCHEMBL31668803 0.83 CYP11B2 (1.00) CYP11B1CYP11B2RAB9AKMT2AMAPT
SCHEMBL9268248 0.83 CYP11B2 (1.00) CYP11B1CYP11B2RAB9AKMT2AMAPT
SCHEMBL5496395 0.83 CYP11B2 (1.00) CYP11B1CYP11B2RAB9AKMT2AMAPT
SCHEMBL29691532 0.83 CYP11B1 (0.82) CYP11B1CYP11B2RAB9AKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES US ARMY, SECRETARY OF THE ARMY 2012-05-31 US disclosed
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES US ARMY, SECRETARY OF THE ARMY 2012-05-31 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-4490531-A THROMBOXAN INHIBITOR, ANTITUMOR AGENT, HYPOTENSIVE AGENT THE UPJOHN COMPANY (US) 1984-12-25 US disclosed
EP-0069521-A2 Pyridinyl and imidazolyl derivatives of benzofurans and benzothiophenes THE UPJOHN COMPANY (US) 1983-01-12 EP 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 (2 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-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B CYP11B1 993/4885CYP11B2 949/4885RAB9A 2530/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 CYP11B1 3211/4885CYP11B2 3289/4885RAB9A 1630/4885

“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.