SCHEMBL3621773

SCHEMBL3621773

c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
RAB9A P51151 1/20 0.71
ASIC3 Q9UHC3 1/20 0.52
KMO O15229 2/20 0.50
MAOA P21397 1/20 0.46
CYP19A1 P11511 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GP6 Q9HCN6 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL24837278 0.95 MEN1 (0.65) MEN1KMT2ARAB9AASIC3KMO
SCHEMBL24837200 0.93 MEN1 (0.70) MEN1KMT2ARAB9AASIC3KMO
SCHEMBL24837198 0.93 MEN1 (0.62) MEN1KMT2ARAB9AASIC3KMO
SCHEMBL21534534 0.93 MEN1 (0.76) MEN1KMT2ARAB9AASIC3KMO
SCHEMBL20664960 0.92 MEN1 (0.65) MEN1KMT2ARAB9AASIC3KMO
SCHEMBL24837362 0.89 MEN1 (0.64) MEN1KMT2ARAB9AASIC3KMO
SCHEMBL14425912 0.89 MEN1 (0.64) MEN1KMT2ARAB9AASIC3CYP19A1
SCHEMBL14425533 0.89 MEN1 (0.64) MEN1KMT2ARAB9AASIC3CYP19A1
SCHEMBL14425536 0.89 MEN1 (0.64) MEN1KMT2ARAB9AASIC3CYP19A1
SCHEMBL14425911 0.89 MEN1 (0.64) MEN1KMT2ARAB9AASIC3CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-09-30 US disclosed
EP-2208722-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF -AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT National University Corporation Nagoya University (JP) 2010-07-21 EP 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-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE MGAT2, MPST, MGAT1 MEN1 1250/4885KMT2A 53/4885RAB9A 3592/4885

“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.