SCHEMBL6739776

SCHEMBL6739776

CC(C)n1ncc2ccc(CC(=O)O)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.53
HDAC8 Q9BY41 1/20 0.48
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
PTGS1 P23219 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
CACNA1H O95180 1/20 0.43
TSHR P16473 2/20 0.42
PTGER3 P43115 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
SLC22A12 Q96S37 3/20 0.40
RGS12 O14924 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL20421223 0.89 CACNA1H (0.53) KMOHDAC8KDM4EHPGDHSD17B10
SCHEMBL15687398 0.82 KMO (0.45) KMOHDAC8HSD17B10CACNA1HPTGER3
SCHEMBL30174486 0.82 KMO (0.45) KMOHDAC8HSD17B10CACNA1HPTGER3
SCHEMBL17316406 0.82 KDM4E (0.53) KMOKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL6743315 0.82 KMO (0.42) KMOHDAC8KDM4EHPGDALDH1A1
SCHEMBL12327554 0.80 HDAC8 (0.53) KMOHDAC8AKR1C3AKR1C2CACNA1H
SCHEMBL20942425 0.79 HDAC8 (0.43) KMOHDAC8CACNA1HPTGER3PDE1A
SCHEMBL7470196 0.78 HCAR3 (0.52) KMOHDAC8KDM4EHPGDPTGER3
SCHEMBL19966783 0.77 KMO (0.40) KMOHDAC8CACNA1HPTGER3PDE1A
SCHEMBL6739781 0.76 KMO (0.56) KMOKDM4EHPGDHSD17B10ALDH1A1

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-20040167158-A1 Heterocyclic compounds for the treatment of migraine NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-08-26 US disclosed
US-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US disclosed
EP-1196380-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2002-04-17 EP disclosed
WO-2001005758-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS ALLELIX CORP. (CA) 2001-01-25 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-20040167158-A1 Heterocyclic compounds for the treatment of migraine SCN7A, CNR2, HTR7 KMO 453/4885HDAC8 428/4885KDM4E 2619/4885

“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.