SCHEMBL9604648

SCHEMBL9604648

COc1cccc(-c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 2/20 0.54
ALDH1A1 P00352 4/20 0.49
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 3/20 0.49
PTPN1 P18031 5/20 0.47
PTPN2 P17706 3/20 0.47
PTPN6 P29350 3/20 0.47
TP53 P04637 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 2/20 0.46
STAT1 P42224 1/20 0.46
ATM Q13315 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
GLA P06280 1/20 0.45

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
SCHEMBL9604651 0.89 ALDH1A1 (0.54) NPC1RAB9AKMT2AGAAALDH1A1
SCHEMBL272773 0.83 RAB9A (0.73) NPC1RAB9AKMT2AGAAALDH1A1
SCHEMBL4883708 0.82 ALOX15 (0.60) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL30377760 0.81 ALDH1A1 (0.62) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL9606209 0.81 ALDH1A1 (0.62) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL1180099 0.80 KDM4E (0.68) NPC1RAB9AKMT2AALDH1A1HPGD
SCHEMBL10910387 0.74 RAB9A (0.61) NPC1RAB9AKMT2AGAAALDH1A1
SCHEMBL4883303 0.74 ALOX15 (0.82) NPC1RAB9AKMT2AGAAALDH1A1
SCHEMBL5562081 0.74 ALOX15 (0.82) NPC1RAB9AKMT2AGAAALDH1A1
SCHEMBL3295181 0.73 RAB9A (0.72) NPC1RAB9AKMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987309-B2 Compounds, pharmaceutical compositions and methods of use of 2-aryl pyridylazoles THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-20120136029-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF 2-ARYL PYRIDYLAZOLES UNIVERSITY OF ARIZONA (US) 2012-05-31 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 (1 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-20120136029-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF 2-ARYL PYRIDYLAZOLES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CDK2, CCNC NPC1 550/4885RAB9A 2986/4885KMT2A 3210/4885

“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.