SCHEMBL4138818

SCHEMBL4138818

N#Cc1cc(-c2nc3cncnc3o2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
VNN1 O95497 1/20 0.35
S1PR1 P21453 3/20 0.34
CYP11B2 P19099 2/20 0.34
KMO O15229 1/20 0.34
RPS6KA5 O75582 2/20 0.34
RPS6KA4 O75676 2/20 0.34
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP11B1 P15538 1/20 0.33
EIF4E P06730 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL1924456 0.72 EIF4E (0.38) CNR1CNR2VNN1CYP11B2KMO
SCHEMBL23458479 0.70 PIK3CB (0.44) ALDH1A1
SCHEMBL25864467 0.70 RAB9A (0.50) ALDH1A1
SCHEMBL13822263 0.69 PBRM1 (0.47) NOTUMALDH1A1NPSR1TDP1
SCHEMBL22995340 0.68 RPS6KA5 (0.30) RPS6KA5
SCHEMBL30569588 0.65 PGK1 (0.44) CYP11B2RPS6KA5RPS6KA4CYP11B1
SCHEMBL5832739 0.63 PTGS2 (0.52) ESR1ESR2ALDH1A1NPSR1
SCHEMBL24809561 0.62 SLC22A12 (0.43) CNR1CNR2CYP11B2CYP11B1EIF4E
SCHEMBL9352337 0.61 ALOX5 (0.51) ALOX15ALDH1A1NPSR1TDP1
SCHEMBL9147176 0.61 DHFR (0.68) ALDH1A1

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-20090149452-A1 XANTHINE OXIDASE INHIBITOR NIPPON CHEMIPHAR CO., LTD. (JP) 2009-06-11 US disclosed
EP-1911760-A1 XANTHINE OXIDASE INHIBITOR Nippon Chemiphar Co., Ltd. (JP) 2008-04-16 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-20090149452-A1 XANTHINE OXIDASE INHIBITOR XDH, PNPO, CBR1 ALOX15 491/4885ESR1 4089/4885ESR2 4356/4885

“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.