SCHEMBL751285

SCHEMBL751285

CC(C)(C)OC(=O)NCCNC(=O)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.57
EPHX2 P34913 4/20 0.56
NR1H4 Q96RI1 2/20 0.56
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 3/20 0.51
ADRB2 P07550 2/20 0.51
ADRB1 P08588 2/20 0.51
ADRB3 P13945 2/20 0.51
EGFR P00533 1/20 0.49
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 2/20 0.48
RECQL P46063 1/20 0.48
PPARG P37231 1/20 0.47

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
SCHEMBL10997512 0.85 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AALDH1A1EPHX2NR1H4
SCHEMBL12641164 0.83 CA2 (0.56) SMN1; SMN2ALDH1A1EPHX2NR1H4KDM4E
SCHEMBL748902 0.82 GABRA5 (0.47) SMN1; SMN2KMT2AALDH1A1KDM4EMEN1
SCHEMBL12093593 0.80 POLB (0.61) SMN1; SMN2KMT2AALDH1A1EGFRL3MBTL1
SCHEMBL751293 0.80 ESRRG (0.55) SMN1; SMN2ALDH1A1EGFR
SCHEMBL5896700 0.80 DGAT1 (0.53) SMN1; SMN2KMT2AALDH1A1EPHX2NR1H4
SCHEMBL5664574 0.80 DGAT1 (0.50) SMN1; SMN2KMT2AALDH1A1EPHX2NR1H4
SCHEMBL3523655 0.80 TDP1 (0.60) KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL14158944 0.80 ALDH1A1 (0.57) SMN1; SMN2KMT2AALDH1A1MEN1EGFR
SCHEMBL2002710 0.80 EPHX2 (0.60) SMN1; SMN2ALDH1A1EPHX2NR1H4KDM4E

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 3 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

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 3865/4885KMT2A 642/4885ALDH1A1 353/4885

“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.