SCHEMBL6370915

SCHEMBL6370915

COc1ccc(NC(=O)Nc2nc(C)cs2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.58
NPC1 O15118 7/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
HPGD P15428 1/20 0.58
ALDH1A1 P00352 2/20 0.55
MAPT P10636 6/20 0.51
POLB P06746 2/20 0.51
HTT P42858 1/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
MAPK1 P28482 1/20 0.51
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MITF O75030 1/20 0.48

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
SCHEMBL6376711 0.86 MAPT (0.55) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL6378062 0.85 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL6376221 0.85 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL6371005 0.82 RAB9A (0.75) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10816647 0.78 RAB9A (0.71) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL6370838 0.76 FBP1 (0.60) RAB9ANPC1POLBCA12CA1
SCHEMBL6371368 0.76 RAB9A (0.53) RAB9ANPC1MAPTHTTCA12
SCHEMBL16705130 0.75 ROCK1 (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL6370742 0.75 ADORA3 (0.71) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL5245817 0.74 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MAPTHTT

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-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US claimed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US claimed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO claimed
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO 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 (4 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 RAB9A 1449/4885NPC1 1654/4885SMN1; SMN2 1156/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 RAB9A 1449/4885NPC1 1654/4885SMN1; SMN2 1156/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 RAB9A 1449/4885NPC1 1654/4885SMN1; SMN2 1156/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 RAB9A 921/4885NPC1 2077/4885SMN1; SMN2 1541/4885

“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.