SCHEMBL29445002

SCHEMBL29445002

Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[Pd-2])c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL18179634 0.76 KDM4E (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL29151039 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL30472444 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL28476099 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL318571 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL30860724 0.76 ALDH1A1 (0.33) ALDH1A1KDM4ERAPGEF4POLBMAPT
SCHEMBL14024390 0.76 ALDH1A1 (0.41) ALDH1A1KDM4ERAPGEF4POLBMAPT
Hydrochloric Acid SCHEMBL2800815 0.74 ALDH1A1 (0.32) ALDH1A1KDM4ERAPGEF4POLBMAPT
Hydrochloric Acid SCHEMBL13721744 0.74 ALDH1A1 (0.32) ALDH1A1KDM4ERAPGEF4POLBMAPT
Hydrochloric Acid SCHEMBL2800812 0.74 ALDH1A1 (0.32) ALDH1A1KDM4ERAPGEF4POLBMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11279696-B2 Processes for the preparation of 7-{4-[4-(1-benzothiophen-4-yl) piperazin-1-yl]butoxy}quinolin-2(1H)-one MSN LABORATORIES PRIVATE LIMITED (IN) 2022-03-22 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-11279696-B2 Processes for the preparation of 7-{4-[4-(1-benzothiophen-4-yl) piperazin-1-yl]butoxy}quinolin-2(1H)-one CYP1B1, CYP4B1, CYP1A1 ALDH1A1 244/4885KDM4E 2318/4885RAPGEF4 1878/4885

“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.