SCHEMBL6740064

SCHEMBL6740064

CC(=O)n1c(C)c(C)c2c(C)cc(Br)cc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.32
PDGFRA P16234 1/20 0.32
CDK5 Q00535 1/20 0.32
TYRO3 Q06418 1/20 0.32
IKBKB O14920 1/20 0.31
MAP3K14 Q99558 1/20 0.31
POLB P06746 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
BAZ2B Q9UIF8 1/20 0.30

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
SCHEMBL14280273 0.71 KCNJ1 (0.32) POLB
SCHEMBL3555128 0.66 BAZ2B (0.49) PDGFRACDK5TYRO3POLBBAZ2B
SCHEMBL6424738 0.62 CYP3A4 (0.36) POLBBAZ2B
SCHEMBL9982867 0.62 PDGFRA (0.54) PDGFRACDK5TYRO3POLBBAZ2B
SCHEMBL9452340 0.61 MCL1 (0.49)
SCHEMBL16493936 0.61 RXFP1 (0.37) CASP1PDGFRACDK5TYRO3POLB
SCHEMBL3125411 0.61 MEN1 (0.41) TAS1R3TAS1R1TAS1R2
SCHEMBL25994225 0.61 SMN1; SMN2 (0.40)
SCHEMBL9746269 0.61 POLB (0.68) POLB
SCHEMBL6420808 0.60 NPC1 (0.35) POLB

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 CASP1 2001/4885PDGFRA 1765/4885CDK5 1486/4885

“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.