SCHEMBL748841

SCHEMBL748841

CS(=O)(=O)Nc1ccc(C(=O)NCCN)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 3/20 0.59
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
TSHR P16473 3/20 0.57
EPHX2 P34913 1/20 0.57
NR1H4 Q96RI1 1/20 0.57
CYP1A2 P05177 1/20 0.57
NFKB1 P19838 1/20 0.57
MAOB P27338 1/20 0.57
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TERT O14746 2/20 0.51
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.51
LMNA P02545 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
SCHEMBL16556594 0.83 KDM4E (0.63) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL11949250 0.82 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL10645255 0.82 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2577714 0.82 HPGD (0.58) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3861146 0.81 MAOB (0.81) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL10997512 0.81 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL10646382 0.81 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
Sematilide SCHEMBL161098 0.80 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1KDM4EKMT2ATSHR
SCHEMBL13508331 0.80 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL10644293 0.80 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1

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-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US disclosed
US-4629739-A Substituted sulfonamidobenzamides and method of treating arrhythmias SCHERING A.G. (DE) 1986-12-16 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-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 SMN1; SMN2 3865/4885ALDH1A1 353/4885KDM4E 610/4885

“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.