SCHEMBL10097267

SCHEMBL10097267

CCn1c(-c2cccc(Cl)c2)c(C#N)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.41
MAOA P21397 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
S1PR1 P21453 2/20 0.39
TSHR P16473 2/20 0.37
TRPA1 O75762 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAT2A P31153 1/20 0.37
CTSK P43235 3/20 0.36
ADORA1 P30542 3/20 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
SCHEMBL10095455 0.87 MAPK1 (0.38) CYP11B2CYP11B1MAOAALDH1A1KDM4E
SCHEMBL10097265 0.87 AR (0.39) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL10097263 0.85 PGR (0.43) ALDH1A1KDM4ELMNAGLAGAA
SCHEMBL13152717 0.83 S1PR1 (0.41) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL14206053 0.82 MEN1 (0.41) ALDH1A1LMNAHTTS1PR1APOBEC3G
SCHEMBL10097259 0.82 KIF11 (0.39) ALDH1A1KDM4EHPGDHTTS1PR1
SCHEMBL10097240 0.81 GRIK2 (0.47) CYP11B2CYP11B1MAOAALDH1A1KDM4E
SCHEMBL10095456 0.81 KIF11 (0.38) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL10095454 0.81 AR (0.43) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL10095729 0.81 MEN1 (0.44) ALDH1A1LMNAGAAHTTAPOBEC3G

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 4 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-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 CYP11B2 1209/4885CYP11B1 1044/4885MAOA 732/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP CYP11B2 3187/4885CYP11B1 2712/4885MAOA 1660/4885

“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.