SCHEMBL6801244

SCHEMBL6801244

Cc1ccc(S(=O)(=O)n2cc([C@@H]3C[C@H]3C=CC(=O)O)c3cc(C#N)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.42
HTR6 P50406 5/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KCNH2 Q12809 1/20 0.40
KLK7 P49862 5/20 0.39
ALOX5 P09917 3/20 0.37
KDM4E B2RXH2 1/20 0.36
UBE2N P61088 1/20 0.36
SLC6A4 P31645 2/20 0.36
PTGS2 P35354 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6801241 1.00 KDM1A (0.42) KDM1AHTR6MAOAMAOBKCNH2
SCHEMBL6797194 1.00 KDM1A (0.42) KDM1AHTR6MAOAMAOBKCNH2
SCHEMBL6796761 0.89 KDM1A (0.40) KDM1AHTR6MAOAMAOBKCNH2
SCHEMBL6628573 0.89 KDM1A (0.40) KDM1AHTR6MAOAMAOBKCNH2
SCHEMBL6800623 0.88 HTR6 (0.44) KDM1AHTR6MAOAMAOBKCNH2
SCHEMBL6799995 0.88 HTR6 (0.44) KDM1AHTR6MAOAMAOBKCNH2
SCHEMBL6799779 0.88 HTR6 (0.44) KDM1AHTR6MAOAMAOBKCNH2
SCHEMBL6627879 0.88 HTR6 (0.44) KDM1AHTR6MAOAMAOBKCNH2
SCHEMBL6628213 0.86 HTR6 (0.43) KDM1AHTR6MAOAMAOBKCNH2
SCHEMBL6631708 0.82 KDM1A (0.45) KDM1AHTR6MAOAMAOBKCNH2

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-6822100-B2 REACTING N-SULFONYL-3-VINYLINDOLE WITH RUTHENIUM COMPLEX IN PRESENCE OF ETHYL DIAZOACETATE AND TOLUENE; PSYCHOLOGICAL, SEXUAL, AND EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-11-23 US disclosed
US-6777437-B2 ANTIDEPRESSANTS, ANXIOLYTIC AGENTS. SEXUAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors MATTSON RONALD J (US) 2004-07-22 US disclosed
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-17 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-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR1A, HTR1D, TPH1 KDM1A 3085/4885HTR6 15/4885MAOA 112/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C KDM1A 3748/4885HTR6 13/4885MAOA 84/4885

“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.