SCHEMBL6025849

SCHEMBL6025849

O=C(O)c1ncc(-c2ccc(Cl)cc2)c(-c2ccc(Br)cn2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 5/20 0.47
▸ MCL1 Q07820 1/20 0.42
▸ DHODH Q02127 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MAP4K4 O95819 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ AHR P35869 1/20 0.36
▸ CTRC Q99895 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ SORT1 Q99523 1/20 0.34

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
SCHEMBL4807383 0.75 CNR1 (0.53) KMO
SCHEMBL25210699 0.72 KMO (0.55) KMODHODHKDM4ECTRC
SCHEMBL6025644 0.72 MEN1 (0.52) KMODHODHKDM4EALDH1A1NPC1
SCHEMBL19933560 0.71 KDM1A (0.46) KMOMCL1KDM4EALDH1A1NPC1
SCHEMBL2319868 0.71 KDM1A (0.49) MCL1KDM4EALDH1A1NPC1RAB9A
SCHEMBL6025158 0.68 KMO (0.45) KMODHODHKDM4ENPC1RAB9A
SCHEMBL15418967 0.66 LDHA (0.61) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL440116 0.65 KMO (0.47) KMODHODHNPC1RAB9AMEN1
SCHEMBL30881499 0.65 MAP2K4 (0.48) KMO
SCHEMBL6025473 0.65 CNR1 (0.51) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-23 — — US claimed
EP-1638570-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2006-03-29 — — EP disclosed
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-23 — — US disclosed
WO-2004110453-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-12-23 — — WO 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-20040259887-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 KMO 2914/4885MCL1 1491/4885DHODH 3904/4885

“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.

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