SCHEMBL3733794

SCHEMBL3733794

C=C(c1ccc2c(c1)C(=O)C(=O)N2)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TGM2 P21980 5/20 0.47
CES1 P23141 4/20 0.47
SMYD3 Q9H7B4 3/20 0.44
MAOA P21397 6/20 0.44
MAOB P27338 6/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CAPN9 O14815 1/20 0.43
CASP3 P42574 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL3748949 0.88 CES1 (0.47) ALDH1A1TGM2CES1MAOAMAOB
SCHEMBL1050601 0.75 SMYD3 (0.56) ALDH1A1TGM2CES1SMYD3MAOA
SCHEMBL29631093 0.75 SMYD3 (0.56) ALDH1A1TGM2CES1SMYD3MAOA
SCHEMBL14563297 0.73 TGM2 (0.58) ALDH1A1TGM2CES1SMYD3MAOA
SCHEMBL30706261 0.73 SMYD3 (0.55) ALDH1A1TGM2CES1SMYD3MAOA
SCHEMBL5893915 0.73 SMYD3 (0.55) ALDH1A1TGM2CES1SMYD3MAOA
SCHEMBL25682260 0.73 TTR (0.58) ALDH1A1MAOACASP3
SCHEMBL5894291 0.73 ALDH1A1 (0.49) ALDH1A1TGM2CES1SMYD3MAOA
SCHEMBL22380701 0.73 PDPK1 (0.57) ALDH1A1TGM2CES1SMYD3CA12
SCHEMBL5894294 0.73 ALDH1A1 (0.49) ALDH1A1TGM2CES1SMYD3MAOA

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 ALDH1A1 324/4885TGM2 4068/4885CES1 2260/4885

“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.