SCHEMBL748902

SCHEMBL748902

CC(C)(C)OC(=O)NCCNC(=O)c1ccc(NS(C)(=O)=O)nc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.47
EGFR P00533 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
DGAT1 O75907 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CFTR P13569 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CSNK1D P48730 1/20 0.39

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
SCHEMBL751285 0.82 SMN1; SMN2 (0.63) EGFRSMN1; SMN2KMT2AMEN1ADRB2
SCHEMBL751341 0.80 MAOB (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL20289570 0.80 MEN1 (0.57) GABRA5SMN1; SMN2DGAT1KMT2AMEN1
SCHEMBL9605527 0.80 GABRA5 (0.48) GABRA5CA12CA1CA2CA9
SCHEMBL12999502 0.79 CA1 (0.50) SMN1; SMN2CA1CA2KMT2AKDM4E
SCHEMBL26494561 0.79 GABRA5 (0.51) GABRA5EGFRSMN1; SMN2CA12CA1
Hydrochloric Acid SCHEMBL15065211 0.79 GABRA5 (0.47) GABRA5CA12CA1CA2CA9
SCHEMBL16710810 0.79 KDM4E (0.47) GABRA5CA12CA1CA2CA9
SCHEMBL12682428 0.78 GABRA5 (0.50) GABRA5EGFRDGAT1KMT2AMEN1
SCHEMBL16552491 0.77 MAPK1 (0.55) GABRA5EGFRDGAT1KMT2AMEN1

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 5 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-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
WO-2007008963-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 WO 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 GABRA5 2049/4885EGFR 2413/4885SMN1; SMN2 3865/4885

“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.