SCHEMBL3748949

SCHEMBL3748949

C=C(c1ccc2c(c1)NC(=O)C2=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.47
TGM2 P21980 6/20 0.46
MAOA P21397 7/20 0.44
MAOB P27338 7/20 0.44
BCHE P06276 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CASP3 P42574 1/20 0.34
CASP2 P42575 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
CASP8 Q14790 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL3733794 0.88 ALDH1A1 (0.47) CES1TGM2MAOAMAOBALDH1A1
SCHEMBL5697228 0.76 CES1 (0.56) CES1TGM2MAOAMAOBBCHE
SCHEMBL31016529 0.75 CES1 (0.55) CES1TGM2MAOAMAOB
SCHEMBL25682260 0.73 TTR (0.58) MAOAALDH1A1CASP3
SCHEMBL30183643 0.73 TGM2 (0.51) CES1TGM2MAOAMAOBALDH1A1
SCHEMBL20594709 0.73 TGM2 (0.51) CES1TGM2MAOAMAOBALDH1A1
SCHEMBL31016521 0.73 CES1 (0.49) CES1TGM2MAOAMAOBBCHE
SCHEMBL8714236 0.71 CES1 (0.55) CES1TGM2MAOAMAOBBCHE
SCHEMBL4192180 0.70 CES1 (0.62) CES1TGM2MAOAMAOBBCHE
SCHEMBL30398896 0.70 CES1 (0.62) CES1TGM2MAOAMAOBBCHE

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
US-7829567-B2 Imino-indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-09 US disclosed
US-20090111987-A1 Imino-Indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-04-30 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-20090111987-A1 Imino-Indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same IMPA1, IMPDH1, IPO5 CES1 2260/4885TGM2 4068/4885MAOA 2622/4885

“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.