SCHEMBL3835965

SCHEMBL3835965

Cc1nc2c(ccc3nccc(Cl)c32)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
SMN1; SMN2 Q16637 6/20 0.36
MAPT P10636 5/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL3193823 0.73 NPC1 (0.45) NPC1RAB9AKMT2AMEN1CASP3
SCHEMBL12930257 0.72 NPC1 (0.50) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6825721 0.71 GRM1 (0.40) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL12930243 0.71 NPC1 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL22891112 0.71 NPC1 (0.56) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL12109870 0.71 MAPT (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3836446 0.69 RIPK2 (0.52) NPC1RAB9A
SCHEMBL15985925 0.69 NPC1 (0.43) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL30629503 0.69 HCAR1 (0.33) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL6826494 0.68 MAP4K4 (0.39) NPC1RAB9AKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833830-B1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME BAYER SCHERING PHARMA AG (DE) 2009-10-14 EP disclosed
EP-1833830-A1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2007-09-19 EP disclosed
US-20060167035-A1 Quinoline derivative, its use, production and pharmaceutical agents containing the latter BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-07-27 US disclosed
WO-2006066955-A1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-29 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 (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-20060167035-A1 Quinoline derivative, its use, production and pharmaceutical agents containing the latter NQO2, RECQL, XDH NPC1 495/4885RAB9A 337/4885KMT2A 1543/4885

“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.