SCHEMBL9911929

SCHEMBL9911929

CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3ccc(Cl)c(C(=O)NCC(C)C)c3)cn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NR1I3 Q14994 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MET P08581 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
P2RX7 Q99572 6/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
EPHB3 P54753 1/20 0.36

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
SCHEMBL2432043 0.89 EPHB3 (0.39) HSD17B10TSHRHTTNPC1RAB9A
SCHEMBL2989211 0.87 NPC1 (0.41) HSD17B10NPC1RAB9ACYP2C9CYP2C19
SCHEMBL9911930 0.86 EPHB3 (0.42) NR1I3CYP3A4CYP2C9CYP2C19MET
SCHEMBL2996049 0.84 F2 (0.42) HSD17B10NPC1RAB9A
SCHEMBL12164434 0.76 EPHB3 (0.51) NPC1RAB9ACYP2C9CYP2C19ALDH1A1
SCHEMBL9911925 0.75 CSNK1D (0.40) CYP2C9CYP2C19GABRA1GABRB2EPHB3
SCHEMBL9911934 0.74 KDM4E (0.38) CYP3A4CYP2C9CYP2C19ALDH1A1GABRA1
SCHEMBL13459295 0.74 F2 (0.39) HSD17B10NPC1RAB9AMETALDH1A1
SCHEMBL2466021 0.74 PIK3CG (0.45) NPC1RAB9AEPHB3
SCHEMBL13459294 0.73 ALDH1A1 (0.45) HSD17B10NPC1RAB9AALDH1A1

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 13 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-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-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-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-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US 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 HSD17B10 676/4885TSHR 3830/4885HTT 4698/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 HSD17B10 676/4885TSHR 3830/4885HTT 4698/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 HSD17B10 676/4885TSHR 3830/4885HTT 4698/4885

“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.