SCHEMBL7258387

SCHEMBL7258387

O=C(O)CCCn1ccc2ccc(Br)cc21

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.57
MCL1 Q07820 8/20 0.50
HTR7 P34969 9/20 0.47
OXER1 Q8TDS5 1/20 0.44
HTR6 P50406 1/20 0.42

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
SCHEMBL26684010 0.91 KMO (0.68) KMOMCL1HTR7HTR6
SCHEMBL23631621 0.89 KMO (0.48) KMOMCL1HTR7HTR6
SCHEMBL416378 0.88 ALOX5 (0.49) KMOMCL1HTR7OXER1
SCHEMBL419751 0.82 KMO (0.57) KMOMCL1HTR7OXER1
SCHEMBL26683806 0.81 KMT2A (0.60) KMOHTR7
SCHEMBL19100386 0.79 KMO (0.56) KMOMCL1HTR7
SCHEMBL29758270 0.79 KMO (0.56) KMOMCL1HTR7
SCHEMBL29560163 0.78 CDK4 (0.68) KMO
SCHEMBL1967792 0.78 CDK4 (0.68) KMO
SCHEMBL8255076 0.78 KMO (0.56) KMOMCL1HTR7OXER1

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-6635639-B2 Treatment or diagnosis of central nervous system conditions NPS ALLELIX CORP. (CA) 2003-10-21 US disclosed
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 US disclosed
US-6380242-B1 FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS NPS ALLELIX CORP. (CA) 2002-04-30 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-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine CNR1, CNR2, KCNH1 KMO 225/4885MCL1 3420/4885HTR7 73/4885

“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.