SCHEMBL4870441

SCHEMBL4870441

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
TP53 P04637 1/20 0.43
POLB P06746 2/20 0.41
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
USP2 O75604 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 4/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.38
NSD2 O96028 2/20 0.37
GFER P55789 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.37

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 0.90 POLB (0.51) TP53POLBALDH1A1MEN1KMT2A
SCHEMBL4864757 0.89 ALDH1A1 (0.44) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL4866904 0.89 MEN1 (0.48) TP53POLBALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4471149 0.89 ALDH1A1 (0.43) POLBALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4470545 0.79 KMT2A (0.48) ALDH1A1MEN1KMT2AUSP2KDM4E
SCHEMBL4821165 0.79 KMT2A (0.47) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL3838405 0.79 KMT2A (0.51) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL4814149 0.79 KDM4E (0.48) POLBALDH1A1MEN1KMT2AUSP2
SCHEMBL4816952 0.79 KMT2A (0.41) TP53ALDH1A1MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL4820806 0.79 KMT2A (0.46) POLBALDH1A1MEN1KMT2AKDM4E

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 3 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
EP-1553092-A1 ARALKYL FORMYL-ALKYL PIPERAZINE DERIVATIVES AND THEIR USES AS CEREBRAL NERVE PROTECTIVE AGENT Shanghai Institute of Pharmaceutical Industry (CN) 2005-07-13 EP 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 ABCB1 2946/4885TP53 3909/4885POLB 3119/4885

“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.