SCHEMBL2950197

SCHEMBL2950197

CCCCCCCCCCCCCCCc1cccc(OCC)c1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
AR P10275 5/20 0.46
S1PR1 P21453 1/20 0.42

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
SCHEMBL19807342 0.96 RET (0.47) RETKCNK3KCNK9AR
SCHEMBL2943421 0.94 AR (0.43) ARS1PR1
SCHEMBL2950177 0.92 PPARA (0.50) ARS1PR1
SCHEMBL2942158 0.90 AR (0.43) ARS1PR1
SCHEMBL23607575 0.87 KCNK3 (0.48) KCNK3KCNK9S1PR1
SCHEMBL29711728 0.86 TRPV1 (0.48) RETKCNK3KCNK9S1PR1
SCHEMBL29371081 0.86 TRPV1 (0.48) RETKCNK3KCNK9S1PR1
SCHEMBL998270 0.86 TRPV1 (0.48) RETKCNK3KCNK9S1PR1
SCHEMBL18804890 0.86 AR (0.46) ARS1PR1
SCHEMBL2943417 0.83 AR (0.48) KCNK3KCNK9AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167107-A1 Modulators (inhibitors/ activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2006-07-27 US claimed
US-7750047-B2 Modulators (inhibitors/activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2010-07-06 US disclosed
US-20090076155-A1 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES KUNDU TAPAS KUMAR 2009-03-19 US disclosed
US-7332629-B2 Modulators (inhibitors/activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2008-02-19 US disclosed
US-20060167107-A1 Modulators (inhibitors/ activators) of histone acetyltransferases JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2006-07-27 US disclosed
EP-1590318-A2 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES Jawaharlal Nehru Centre For Advanced Scientific Research (IN) 2005-11-02 EP disclosed
WO-2004053140-A2 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2004-06-24 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 (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-20060167107-A1 Modulators (inhibitors/ activators) of histone acetyltransferases EP300, HDAC1, KAT2A RET 4625/4885KCNK3 3907/4885KCNK9 2957/4885
US-20090076155-A1 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES KAT2A, HDAC5, HAT1 RET 2777/4885KCNK3 3703/4885KCNK9 3322/4885

“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.