SCHEMBL278250

SCHEMBL278250

CCOC(=O)c1c(I)ncn1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP19A1 P11511 2/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.38
KCNH2 Q12809 1/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK14 Q16539 1/20 0.37
GRK6 P43250 1/20 0.37
MAPK1 P28482 2/20 0.36
MAPT P10636 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
SCHEMBL21879851 0.85 ALDH1A1 (0.43) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL16268118 0.84 ALDH1A1 (0.42) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL278381 0.83 GRK6 (0.42) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL31332814 0.83 ALDH1A1 (0.41) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL862927 0.80 PDE4A (0.42) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL20370776 0.80 ALDH1A1 (0.46) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL14710629 0.77 KMT2A (0.42) ALDH1A1HPGDGAAKMT2AKDM4E
SCHEMBL840357 0.75 ALDH1A1 (0.44) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL863014 0.74 GRK6 (0.44) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL21721116 0.74 MAPK1 (0.40) ALDH1A1HPGDGAAMEN1KMT2A

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
EP-2280975-B1 7H-INDOLO[2,1-A][2]BENZAZEPINE-10-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-01-01 EP disclosed
US-8133884-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-13 US disclosed
US-8133884-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-13 US disclosed
US-20090280083-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-20090280083-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
WO-2009137454-A1 7H-INDOLO[2,1-A] [2] BENZAZEPINE-10-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-12 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-20090280083-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ALDH1A1 163/4885HPGD 647/4885GAA 267/4885

“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.