SCHEMBL1609535

SCHEMBL1609535

COc1cc2c(Cl)c(C(=O)N3CCOCC3)sc2c(Br)c1OC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1609034 0.89 KMT2A (0.46) KMT2AGLAMAPTHPGDTSHR
SCHEMBL1608249 0.85 SMN1; SMN2 (0.55) KMT2AGLAMAPTHPGDSMN1; SMN2
SCHEMBL1608941 0.82 HPGD (0.58) KMT2AGLAMAPTHPGDNPSR1
SCHEMBL1608247 0.79 HPGD (0.55) KMT2AGLAMAPTHPGDNPSR1
SCHEMBL1609127 0.76 SMN1; SMN2 (0.52) KMT2AGLAMAPTHPGDTSHR
Trimetozine SCHEMBL114786 0.70 MAPT (0.72) KMT2AGLAMAPTHPGDPOLB
SCHEMBL1608165 0.70 HPGD (0.62) KMT2AMAPTHPGDTSHRSMN1; SMN2
SCHEMBL1608957 0.70 CES2 (0.55) KMT2AGLAMAPTHPGDSMN1; SMN2
SCHEMBL1608153 0.69 HPGD (0.47) KMT2AMAPTHPGDTSHRSMN1; SMN2
SCHEMBL1608089 0.69 KMT2A (0.46) KMT2AGLAMAPTHPGDSMN1; SMN2

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-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 KMT2A 2938/4885GLA 509/4885MAPT 1148/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 KMT2A 1989/4885GLA 420/4885MAPT 2131/4885

“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.