SCHEMBL2950190

SCHEMBL2950190

CCCCCCCCCCCCCCCc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
LMNA P02545 7/20 0.54
GAA P10253 2/20 0.54
RAB9A P51151 1/20 0.53
PPARA Q07869 1/20 0.53
HTT P42858 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TRPV1 Q8NER1 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL29711728 0.92 TRPV1 (0.48) MAPTLMNAGAARAB9AHTT
SCHEMBL998270 0.92 TRPV1 (0.48) MAPTLMNAGAARAB9AHTT
SCHEMBL29371081 0.92 TRPV1 (0.48) MAPTLMNAGAARAB9AHTT
SCHEMBL2941795 0.91 TRPV1 (0.49) MAPTLMNAGAARAB9AHTT
SCHEMBL2950017 0.91 TRPV1 (0.47) MAPTLMNAGAARAB9AHTT
SCHEMBL2950177 0.86 PPARA (0.50) PPARAS1PR1
SCHEMBL2948422 0.85 AR (0.49) LMNAPPARAHTTALDH1A1MAPK1
SCHEMBL22339322 0.85 MAPT (0.69) MAPTLMNAGAARAB9AHTT
SCHEMBL18814443 0.82 MAPT (0.60) MAPTLMNAGAARAB9AHTT
SCHEMBL23607575 0.81 KCNK3 (0.48) MAPTLMNARAB9APPARAHTT

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-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

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 MAPT 1900/4885LMNA 4079/4885GAA 1584/4885
US-20090076155-A1 MODULATORS (INHIBITORS/ACTIVATORS) OF HISTONE ACETYLTRANSFERASES KAT2A, HDAC5, HAT1 MAPT 2228/4885LMNA 2767/4885GAA 338/4885

“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.