SCHEMBL3473505

SCHEMBL3473505

Cc1nc2ccc(Br)cc2n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GLA P06280 1/20 0.60
CASP3 P42574 5/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.44
USP2 O75604 1/20 0.44
PDE2A O00408 1/20 0.42
PDE10A Q9Y233 1/20 0.42
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL3472630 0.87 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL21848322 0.82 MEN1 (0.46) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL28464136 0.80 KDM4E (0.60) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL3346416 0.80 KMT2A (0.44) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL3349725 0.80 MEN1 (0.47) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL960479 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4ECASP3MEN1
SCHEMBL15147603 0.79 KDM4E (0.58) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL29778120 0.78 MEN1 (0.43) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL3475320 0.78 MEN1 (0.43) ALDH1A1SMN1; SMN2HPGDKDM4EGLA
SCHEMBL24007903 0.77 MAPT (0.49) ALDH1A1SMN1; SMN2HPGDCASP3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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 (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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 ALDH1A1 503/4885SMN1; SMN2 836/4885HPGD 796/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 ALDH1A1 503/4885SMN1; SMN2 836/4885HPGD 796/4885

“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.