SCHEMBL10097254

SCHEMBL10097254

CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(O)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
CA12 O43570 1/20 0.40
BRD4 O60885 1/20 0.40
NR1I2 O75469 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MB P02144 1/20 0.40
CYP1A1 P04798 1/20 0.40
CA3 P07451 1/20 0.40
CYP3A4 P08684 1/20 0.40
RARG P13631 1/20 0.40
TSHR P16473 1/20 0.40
ALOX5AP P20292 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL10097335 0.90 PGR (0.45) TP53MEN1ALDH1A1MAPTKMT2A
SCHEMBL979558 0.87 NPSR1 (0.38) NPSR1MEN1KMT2APFKFB1PFKFB2
SCHEMBL982759 0.86 GRIK2 (0.46) NPSR1TP53MEN1ALDH1A1MAPT
SCHEMBL10095591 0.85 KIF11 (0.44) NPSR1TP53ALDH1A1KMT2APGR
SCHEMBL10096734 0.85 KMT2A (0.49) NPSR1TP53MEN1ALDH1A1MAPT
SCHEMBL10095736 0.85 NPSR1 (0.56) NPSR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL10256415 0.85 PTPN1 (0.44) NPSR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL10096388 0.84 RAB9A (0.45) TP53ALDH1A1MAPTKMT2APFKFB1
SCHEMBL979533 0.84 PGR (0.47) MEN1ALDH1A1MAPTKMT2APGR
SCHEMBL10095410 0.84 CYP11B2 (0.46) TP53MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 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 (2 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS NPSR1 1853/4885TP53 3022/4885MEN1 4815/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP NPSR1 2722/4885TP53 1710/4885MEN1 4860/4885

“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.