SCHEMBL978671

SCHEMBL978671

COc1ccccc1-c1[c]n[nH]c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
METAP2 P50579 1/20 0.44
APP P05067 1/20 0.43
DCUN1D1 Q96GG9 2/20 0.42
HSD17B10 Q99714 3/20 0.41
GAA P10253 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41

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
SCHEMBL292783 0.78 RAB9A (0.38) ALDH1A1METAP2DCUN1D1HSD17B10GAA
SCHEMBL979802 0.74 IDO1 (0.39) ALDH1A1DCUN1D1HPGDSMN1; SMN2KMT2A
SCHEMBL1967310 0.74 IDO1 (0.38) ALDH1A1DCUN1D1GAASMN1; SMN2MEN1
SCHEMBL27971466 0.73 APP (0.44) ALDH1A1METAP2APPDCUN1D1HSD17B10
SCHEMBL1971146 0.71 ALDH1A1 (0.44) ALDH1A1METAP2APPDCUN1D1HSD17B10
SCHEMBL294602 0.71 PIK3CD (0.33)
SCHEMBL29429633 0.71 CA1 (0.71) ALDH1A1METAP2APPHSD17B10GAA
SCHEMBL29788337 0.71 CA1 (0.71) ALDH1A1METAP2APPHSD17B10GAA
SCHEMBL301996 0.71 CA1 (0.71) ALDH1A1METAP2APPHSD17B10GAA
SCHEMBL17540870 0.70 ALDH1A1 (0.43) ALDH1A1METAP2APPDCUN1D1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276764-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2013-07-24 EP claimed
US-8178523-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-15 US claimed
US-20110020275-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US claimed
EP-2276764-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-01-26 EP claimed
WO-2009120745-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-01 WO claimed
EP-2276764-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2013-07-24 EP disclosed
US-8178523-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-15 US disclosed
US-20110020275-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 US disclosed
EP-2276764-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-01-26 EP disclosed
WO-2009120745-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-01 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 (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-20110020275-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ALDH1A1 220/4885METAP2 1483/4885APP 4875/4885

“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.