SCHEMBL4871531

SCHEMBL4871531

COc1ccc(CNC(=O)CN2CCN(CC(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
TSHR P16473 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
GFER P55789 1/20 0.62
NPC1 O15118 2/20 0.59
RAB9A P51151 1/20 0.59
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 1/20 0.56
PPARG P37231 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
HTT P42858 2/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL3838145 0.95 LMNA (0.67) LMNATSHRSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL4873283 0.94 LMNA (0.66) LMNATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL3838703 0.87 HTT (0.68) MEN1KMT2AGFERCA1CA2
SCHEMBL4874455 0.85 ALDH1A1 (0.76) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL2797167 0.82 NPC1 (0.69) LMNATSHRMEN1KMT2ANPC1
SCHEMBL4491381 0.81 LMNA (0.70) LMNATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL31212419 0.81 ACHE (0.67) LMNATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL4495526 0.79 LMNA (0.68) LMNATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL3837899 0.79 L3MBTL1 (0.61) MEN1KMT2ACA1CA2CA7
SCHEMBL3844592 0.79 HTT (0.79) LMNASMN1; SMN2MEN1KMT2AGFER

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 disclosed
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 disclosed
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 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-20050153981-A1 Aralkyl formly-alkyl piperazine derivatives and their uses as a cerebral nerve protective agent GAP43, FABP7, AGK LMNA 1002/4885TSHR 4824/4885SMN1; SMN2 131/4885

“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.