SCHEMBL2989211

SCHEMBL2989211

CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3ccc(-c4ccccc4)c(C(=O)NCC(C)C)c3)cn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TGFBR1 P36897 1/20 0.38
SLC2A1 P11166 2/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
CSNK1D P48730 4/20 0.37
CSNK1E P49674 4/20 0.37
EPHB3 P54753 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 1/20 0.36
HMGCR P04035 1/20 0.36
CYP1A2 P05177 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
SCHEMBL2996049 0.92 F2 (0.42) NPC1RAB9AHSD17B10TGFBR1F2
SCHEMBL2432043 0.90 EPHB3 (0.39) NPC1RAB9AHSD17B10ALDH1A1TGFBR1
SCHEMBL9911929 0.87 HSD17B10 (0.44) NPC1RAB9AHSD17B10ALDH1A1EPHB3
SCHEMBL13459294 0.87 ALDH1A1 (0.45) NPC1RAB9AHSD17B10ALDH1A1SLC2A1
SCHEMBL12164434 0.82 EPHB3 (0.51) NPC1RAB9AALDH1A1SLC2A1NR1H4
SCHEMBL13459295 0.80 F2 (0.39) NPC1RAB9AHSD17B10ALDH1A1TGFBR1
SCHEMBL2464710 0.78 CSNK1D (0.44) NPC1RAB9AALDH1A1TGFBR1NR1H4
SCHEMBL2466021 0.78 PIK3CG (0.45) NPC1RAB9ATGFBR1SLC2A1CSNK1D
SCHEMBL9911930 0.77 EPHB3 (0.42) ALDH1A1SLC2A1CSNK1DCSNK1EEPHB3
SCHEMBL1935984 0.73 PIK3CG (0.45) TGFBR1SLC2A1CSNK1DCSNK1EKMT2A

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 15 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-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-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 NPC1 59/4885RAB9A 2261/4885HSD17B10 676/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NPC1 59/4885RAB9A 2261/4885HSD17B10 676/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NPC1 59/4885RAB9A 2261/4885HSD17B10 676/4885

“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.