SCHEMBL7212246

SCHEMBL7212246

C#CCc1cccc(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
MAOA P21397 3/20 0.52
CYP19A1 P11511 2/20 0.50
CYP3A4 P08684 3/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL9350384 0.84 MEN1 (0.41) MAOBMAOACYP3A4ALDH1A1LMNA
SCHEMBL1184254 0.78 ENPP2 (0.53) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL363080 0.78 MAOB (0.52) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL2810466 0.77 MAOB (0.50) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL20258528 0.75 CYP19A1 (0.62) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL10601961 0.75 PYCR1 (0.49) MAOBMAOACYP19A1CYP3A4CASP1
SCHEMBL8710627 0.75
SCHEMBL4769655 0.74 PYCR1 (0.56) MAOBMAOACYP11B1CYP11B2ALDH1A1
SCHEMBL13892413 0.74 IDO1 (0.48) SIGMAR1LMNA
SCHEMBL3689366 0.74 ENPP2 (0.45) CYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP claimed
US-11192850-B2 N-aryl oxamic acids PURDUE RESEARCH FOUNDATION (US) 2021-12-07 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-11192850-B2 N-aryl oxamic acids PTPRB, PTPRO, PTPRM MAOB 33/4885MAOA 110/4885CYP19A1 3775/4885

“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.