SCHEMBL789017

SCHEMBL789017

CN(C)C(=O)Nc1cccc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
TP53 P04637 1/20 0.59
PNPLA2 Q96AD5 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TGM2 P21980 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
APEX1 P27695 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
P2RX1 P51575 1/20 0.51

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
SCHEMBL7618218 0.88 GAA (0.58) GAARAB9ASMN1; SMN2TGM2MEN1
SCHEMBL19019393 0.87 TP53 (0.69) TP53PNPLA2HDAC6APEX1
SCHEMBL8153658 0.80 HSD17B10 (0.65) TP53PNPLA2HDAC6SMN1; SMN2MEN1
SCHEMBL11164480 0.80 TP53 (0.61) TP53PNPLA2HDAC6APEX1
SCHEMBL20057568 0.80 TP53 (0.61) TP53PNPLA2HDAC6APEX1
SCHEMBL10425058 0.80 ALDH1A1 (0.65) TP53PNPLA2HDAC6RAB9AMEN1
SCHEMBL264735 0.79 GAA (0.66) GAARAB9ASMN1; SMN2TGM2ALDH1A1
SCHEMBL2150418 0.79 CA12 (0.63) GAARAB9ASMN1; SMN2TGM2MEN1
SCHEMBL19707566 0.79 GAA (0.65) GAARAB9ATGM2MEN1KMT2A
SCHEMBL9128067 0.79 TSHR (0.46) TP53MEN1KMT2AAPEX1

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
US-20180305231-A1 COMPOSITE, A METHOD OF MAKING THEREOF, AND A METHOD FOR DEGRADING A POLLUTANT KING ABDULAZIZ UNIVERSITY (SA) 2018-10-25 US disclosed
WO-2014186704-A2 NOVEL COMPOUNDS FOR THE TREATMENT OF CYSTIC FIBROSIS N30 PHARMACEUTICALS, INC. (US) 2014-11-20 WO disclosed
EP-2616071-A2 FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-24 EP disclosed
US-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2013-07-04 US disclosed
WO-2012037299-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
US-4678503-A STABILIZERS FOR HERBICIDES RHONE-POULENC AGROCHIMIE (FR) 1987-07-07 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 (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-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 GAA 1730/4885TP53 1755/4885PNPLA2 460/4885

“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.