SCHEMBL748843

SCHEMBL748843

NCCNC(=O)c1ccc(NCC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
CYP1A2 P05177 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
MAOB P27338 1/20 0.58
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
HIF1A Q16665 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
SLC22A8 Q8TCC7 1/20 0.51
TERT O14746 2/20 0.49
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
MAPK1 P28482 1/20 0.46
SPHK2 Q9NRA0 1/20 0.46
HDAC1 Q13547 1/20 0.44
ITGB3 P05106 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
SCHEMBL3861146 0.82 MAOB (0.81) MEN1KMT2ABLMPMP22CYP1A2
SCHEMBL749730 0.82 MAOB (0.60) MEN1KMT2ABLMPMP22CYP1A2
SCHEMBL10077477 0.82 NFKB1 (0.60) MEN1KMT2ABLMPMP22CYP1A2
SCHEMBL751304 0.80 HDAC2 (0.59) MEN1KMT2ABLMPMP22CYP1A2
SCHEMBL13092061 0.80 MAOB (0.66) MEN1KMT2ABLMPMP22CYP1A2
Hydrochloric Acid SCHEMBL1579939 0.79 MEN1 (0.68) MEN1KMT2ABLMPMP22CYP1A2
SCHEMBL751542 0.78 ALDH1A1 (0.57) MEN1KMT2ABLMPMP22CYP1A2
Hydrochloric Acid SCHEMBL10614815 0.78 BLM (0.71) MEN1KMT2ABLMPMP22CYP1A2
Hydrochloric Acid SCHEMBL32665514 0.78 BLM (0.71) MEN1KMT2ABLMPMP22CYP1A2
SCHEMBL731620 0.77 CYP1A2 (0.67) MEN1KMT2ABLMPMP22CYP1A2

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
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 MEN1 3283/4885KMT2A 642/4885BLM 4771/4885

“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.