SCHEMBL9912784

SCHEMBL9912784

CNC(=O)c1c(-c2ccc(F)cc2)sc2ccc(-c3cccc(C(N)=O)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.44
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK14 Q16539 1/20 0.40
IKBKB O14920 1/20 0.40
LIMK1 P53667 2/20 0.39
DPP4 P27487 1/20 0.39
LIMK2 P53671 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK2 P24941 2/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
PARP1 P09874 1/20 0.38
CSF1R P07333 2/20 0.37
FLT1 P17948 2/20 0.37
FLT3 P36888 2/20 0.37

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
SCHEMBL1934986 0.90 KDM4E (0.41) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL1936816 0.87 ANO1 (0.38) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL12329472 0.83 KDM4E (0.40) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL1936783 0.83 PPARG (0.39) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL2439222 0.81 CYP2C8 (0.53) MAPK14KAT6AROCK2ROCK1DYRK1A
SCHEMBL1936901 0.80 MEN1 (0.40) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL2439255 0.80 CYP2C8 (0.52) KAT6AROCK2ROCK1DYRK1A
SCHEMBL12164743 0.79 L3MBTL1 (0.44) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL1936460 0.79 ESR1 (0.50) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL1937622 0.79 MEN1 (0.40) KDM4ENPC1ALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536338-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
US-20120232099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-09-13 US disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
WO-2010030538-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 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 (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-20100063068-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PTGES 2149/4885KDM4E 4005/4885NPC1 59/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PTGES 2149/4885KDM4E 4005/4885NPC1 59/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PTGES 2149/4885KDM4E 4005/4885NPC1 59/4885

“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.