SCHEMBL6017913

SCHEMBL6017913

Cc1ccc(-c2cc[c]s2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.38
KMO O15229 2/20 0.35
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
ERN1 O75460 1/20 0.33
AKR1B10 O60218 2/20 0.33
AKR1C4 P17516 2/20 0.33
AKR1C1 Q04828 2/20 0.33
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PTGS2 P35354 1/20 0.32
HSD17B1 P14061 2/20 0.31
HSD17B2 P37059 2/20 0.31
ADK P55263 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
ACHE P22303 1/20 0.30
KCNH2 Q12809 2/20 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
SCHEMBL2752430 0.83 HSD17B1 (0.34) PTGS2HSD17B1HSD17B2
SCHEMBL1416583 0.83 HSD17B1 (0.42) KMOHSD17B1HSD17B2
SCHEMBL5917569 0.79 RAB9A (0.47) ERN1PTGS2HSD17B2
SCHEMBL5917529 0.79 CYP3A4 (0.42) KMOPTGS2
SCHEMBL2752663 0.75 HSD17B1 (0.35) HSD17B1HSD17B2
SCHEMBL1416554 0.74 HSD17B1 (0.47) NISCHHSD17B1HSD17B2
SCHEMBL12377626 0.73 NISCH (0.52) NISCHKMOAKR1C3AKR1C2ERN1
SCHEMBL1416461 0.72 ACHE (0.36) HSD17B1HSD17B2ACHE
SCHEMBL1415990 0.72 HSD17B1 (0.36) HDAC6HSD17B1HSD17B2
SCHEMBL13703909 0.71 NISCH (0.50) NISCHKMOAKR1C3AKR1C2ERN1

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-7067509-B2 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-27 US claimed
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-23 US claimed
WO-2004080411-A2 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO 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-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R NISCH 898/4885KMO 166/4885AKR1C3 577/4885

“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.