SCHEMBL4778968

SCHEMBL4778968

Fc1ccc(-c2cc[c]nc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.41
KCNH2 Q12809 3/20 0.40
CACNA1B Q00975 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
KMO O15229 2/20 0.38
CYP11B2 P19099 1/20 0.37
GRM5 P41594 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
TDP2 O95551 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
CASP1 P29466 1/20 0.37
PIK3CA P42336 1/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
RPA1 P27694 1/20 0.36
PGR P06401 1/20 0.36
HSD17B1 P14061 1/20 0.36

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
SCHEMBL4781637 0.88 AHR (0.39) KCNH2CACNA1BKMOCYP11B2PTGS2
SCHEMBL745447 0.85 CYP11B2 (0.40) KMOCYP11B2GRM5GRIN2B
SCHEMBL2751540 0.83 AHR (0.56) KCNH2KMO
SCHEMBL4781095 0.79 AHR (0.41) PTGS2
SCHEMBL5535783 0.79 AHR (0.35) CYP11B2
SCHEMBL2749712 0.77 RXRA (0.34)
SCHEMBL533894 0.77 NISCH (0.46) NISCHKCNH2ERCC1ERCC4KMO
SCHEMBL4775359 0.76 ALOX5 (0.43)
SCHEMBL745572 0.76
SCHEMBL693851 0.75 NPC1 (0.35) CYP11B2

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
WO-2008001160-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO claimed
US-20060247239-A1 Melanin concentrating hormone antagonists HU XIUFENG E 2006-11-02 US claimed

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-20060247239-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R NISCH 446/4885KCNH2 4050/4885CACNA1B 4095/4885

“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.