SCHEMBL3320904

SCHEMBL3320904

NC(C(=O)c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TRPM8 Q7Z2W7 2/20 0.49
ACP3 P15309 1/20 0.49
PARP1 P09874 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CES2 O00748 1/20 0.46
LMNA P02545 1/20 0.46
CES1 P23141 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MC4R P32245 1/20 0.44
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
GPR139 Q6DWJ6 2/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
ATM Q13315 1/20 0.43
MAOB P27338 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
Chlorobenzene SCHEMBL27608976 0.88 TDP1 (0.52) MEN1KMT2ATRPM8PARP1TDP1
SCHEMBL29136047 0.82 MEN1 (0.51) MEN1KMT2AACP3PARP1TDP1
SCHEMBL29454480 0.82 MEN1 (0.51) MEN1KMT2AACP3PARP1TDP1
SCHEMBL29779063 0.82 MEN1 (0.51) MEN1KMT2AACP3PARP1TDP1
SCHEMBL3623486 0.82 MEN1 (0.51) MEN1KMT2AACP3PARP1TDP1
SCHEMBL27865867 0.82 MEN1 (0.51) MEN1KMT2AACP3PARP1TDP1
SCHEMBL3658372 0.82 TDP1 (0.61) PARP1TDP1L3MBTL1CES2LMNA
SCHEMBL4919231 0.82 TDP1 (0.61) PARP1TDP1L3MBTL1CES2LMNA
SCHEMBL9279536 0.81 MEN1 (0.55) MEN1KMT2ATRPM8ACP3PARP1
SCHEMBL6205111 0.81 CES2 (0.52) MEN1KMT2ATDP1L3MBTL1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865739-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-10-21 US disclosed
US-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-04-17 US disclosed
US-8664399-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-25 US disclosed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US disclosed
WO-2010056865-A1 QUINOLINE DERIVATIVES AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 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 (3 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-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E MEN1 1186/4885KMT2A 2275/4885TRPM8 76/4885
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E MEN1 1186/4885KMT2A 2275/4885TRPM8 76/4885
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E MEN1 1186/4885KMT2A 2275/4885TRPM8 76/4885

“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.