SCHEMBL2301732

SCHEMBL2301732

[CH2][C@@H](CC)n1c(O)nc2ncc(Cl)c(-c3ccc(F)cc3)c21

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.32
MEN1 O00255 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
USP7 Q93009 1/20 0.32
GCGR P47871 3/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RPS6KA3 P51812 1/20 0.30

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
SCHEMBL4119697 0.89 USP7 (0.34) USP7GCGR
SCHEMBL3396213 0.89 USP7 (0.34) USP7GCGR
SCHEMBL2299439 0.89 MET (0.33) METMEN1RAB9AKMT2AUSP7
SCHEMBL16503263 0.86 TGFBR1 (0.34) METMEN1RAB9AKMT2AUSP7
SCHEMBL2297656 0.86 USP7 (0.34) METMEN1RAB9AKMT2AUSP7
SCHEMBL2299085 0.86 USP7 (0.34) METMEN1RAB9AKMT2AUSP7
SCHEMBL2299259 0.86 TGFBR1 (0.34) METMEN1RAB9AKMT2AUSP7
SCHEMBL2297839 0.85 ACLY (0.37) METMEN1RAB9AKMT2AGCGR
SCHEMBL2300218 0.85 USP7 (0.33) METMEN1RAB9AKMT2AUSP7
SCHEMBL2297662 0.85 USP7 (0.33) METMEN1RAB9AKMT2AUSP7

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-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 MET 3400/4885MEN1 2273/4885RAB9A 3072/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 MET 3492/4885MEN1 2615/4885RAB9A 3359/4885

“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.