SCHEMBL17830989

SCHEMBL17830989

Cc1ccc(C(=O)Nc2ccnc(N)n2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 1/20 0.47
SORT1 Q99523 1/20 0.46
ROCK1 Q13464 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 3/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
KDR P35968 1/20 0.44
IDE P14735 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL16430770 0.85 MAOB (0.56) KMT2ATDP1ALDH1A1ROCK1L3MBTL1
SCHEMBL16430944 0.84 RAB9A (0.62) NPC1RAB9ATP53MAPTKMT2A
SCHEMBL16441773 0.79 GRM5 (0.64) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL13553231 0.79 IDE (0.67) NPC1RAB9AKMT2AMEN1ROCK1
SCHEMBL12501847 0.75 RAB9A (0.70) NPC1RAB9ATP53MAPTKMT2A
SCHEMBL3515341 0.74 TYK2 (0.58) RAB9AKDR
SCHEMBL11341693 0.72 HRH4 (0.53) ROCK1KDR
SCHEMBL21899231 0.71 AR (0.46) KMT2ATDP1ALDH1A1ROCK1L3MBTL1
SCHEMBL29225419 0.71 ALDH1A1 (0.55) NPC1RAB9ATP53MAPTKMT2A
SCHEMBL15305788 0.71 HRH4 (0.52) KDM4EROCK1L3MBTL1LMNAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168132-A1 DI(HETERO)ARYLAMIDES AND SULFONAMIDES, METHODS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF MINORYX THERAPEUTICS S.L. (ES) 2016-06-16 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-20160168132-A1 DI(HETERO)ARYLAMIDES AND SULFONAMIDES, METHODS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF GLB1, GBA1, GALC NPC1 1065/4885RAB9A 1465/4885TP53 4882/4885

“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.