SCHEMBL4875541

SCHEMBL4875541

COc1ccc2cc(C(=O)C(C)N3CCN(CC(=O)c4ccc(Cl)cc4)CC3)ccc2c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 8/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A4 P31645 3/20 0.39
HTT P42858 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.38
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38

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
SCHEMBL4864757 0.94 ALDH1A1 (0.44) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL4866904 0.94 MEN1 (0.48) POLBMEN1KMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL4471149 0.93 ALDH1A1 (0.43) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL4870441 0.90 ABCB1 (0.47) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL3838414 0.84 SLC6A4 (0.56) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL4821165 0.83 KMT2A (0.47) POLBMEN1KMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL4470545 0.83 KMT2A (0.48) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL4818951 0.83 SLC6A4 (0.45) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL3838405 0.82 KMT2A (0.51) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL4814149 0.82 KDM4E (0.48) POLBMEN1KMT2AALDH1A1KDM4E

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-7326710-B2 Aralkyl formyl-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2008-02-05 US claimed
US-20050153981-A1 Aralkyl formly-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2005-07-14 US claimed

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-20050153981-A1 Aralkyl formly-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent GAP43, FABP7, AGK POLB 3119/4885MEN1 4248/4885KMT2A 3987/4885

“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.