SCHEMBL4866904

SCHEMBL4866904

COc1ccc(C(=O)CN2CCN(C(C)C(=O)c3ccc4c(Cl)c(OC)ccc4c3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
SLC6A2 P23975 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRND Q07001 1/20 0.41

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
SCHEMBL4875541 0.94 POLB (0.51) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL4864757 0.93 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL4471149 0.92 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL4821165 0.90 KMT2A (0.47) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL4870441 0.89 ABCB1 (0.47) MEN1KMT2AALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL4820806 0.89 KMT2A (0.46) MEN1KMT2AALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL4470545 0.82 KMT2A (0.48) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL3838405 0.81 KMT2A (0.51) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL4814149 0.81 KDM4E (0.48) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL4816952 0.81 KMT2A (0.41) MEN1KMT2AALDH1A1KDM4ELMNA

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 MEN1 4248/4885KMT2A 3987/4885ALDH1A1 1828/4885

“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.