SCHEMBL9526176

SCHEMBL9526176

O=C1NC(=O)C2C3C=CC(C4C=CC43)C12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
BRCA1 P38398 1/20 0.34
CASP7 P55210 1/20 0.34
HBB P68871 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CACNB4 O00305 3/20 0.31
CACNA1A O00555 3/20 0.31
CACNA1G O43497 3/20 0.31
CACNG3 O60359 3/20 0.31
CACNA1F O60840 3/20 0.31
CACNA1H O95180 3/20 0.31
CACNB3 P54284 3/20 0.31
CACNA2D1 P54289 3/20 0.31
CACNG7 P62955 3/20 0.31
CACNA1B Q00975 3/20 0.31
CACNA1D Q01668 3/20 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
SCHEMBL17343101 1.00 ALDH1A1 (0.46) ALDH1A1TSHRCASP1BRCA1CASP7
SCHEMBL2826555 0.91 ALDH1A1 (0.48) ALDH1A1TSHRCASP1BRCA1CASP7
Mitindomide SCHEMBL19411825 0.83 ALDH1A1 (0.43) ALDH1A1TSHRCASP1BRCA1CASP7
Mitindomide SCHEMBL4171 0.83 ALDH1A1 (0.43) ALDH1A1TSHRCASP1BRCA1CASP7
SCHEMBL9527329 0.79 ALDH1A1 (0.56) ALDH1A1TSHRCASP1BRCA1CASP7
SCHEMBL9051575 0.79 ALDH1A1 (0.75) ALDH1A1POLB
SCHEMBL3158529 0.76 POLB (0.40) ALDH1A1TSHRCASP1BRCA1CASP7
SCHEMBL14563304 0.74 ALDH1A1 (0.41) ALDH1A1TSHRCASP1BRCA1CASP7
SCHEMBL20043769 0.74 ALDH1A1 (0.45) ALDH1A1TSHRCASP1BRCA1CASP7
SCHEMBL22260783 0.74 ALDH1A1 (0.45) ALDH1A1TSHRCASP1BRCA1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790237-B2 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-10-17 US disclosed
US-20150361099-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2015-12-17 US disclosed
EP-0220873-B1 Fused bicyclic imides with psychotropic activity AMERICAN HOME PROD (US) 1993-11-24 EP disclosed
US-4892943-A ANTIPSYCHOTIC, ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-09 US disclosed
EP-0220873-A1 Fused bicyclic imides with psychotropic activity AMERICAN HOME PRODUCTS CORPORATION (US) 1987-05-06 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-20150361099-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES NR5A2, NR4A3, NR4A2 ALDH1A1 1383/4885TSHR 127/4885CASP1 3532/4885

“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.