SCHEMBL3863545

SCHEMBL3863545

O=C(O)C#Cc1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
ERCC5 P28715 2/20 0.44
FEN1 P39748 2/20 0.44
FFAR1 O14842 2/20 0.43
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
DHODH Q02127 1/20 0.41
SMO Q99835 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HNF4A P41235 2/20 0.39
ACMSD Q8TDX5 2/20 0.39
DHFR P00374 1/20 0.39
MCL1 Q07820 1/20 0.39
FTO Q9C0B1 1/20 0.38
CNR1 P21554 1/20 0.38
RHEB Q15382 1/20 0.38

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
SCHEMBL3862663 0.80 CRHBP (0.43) FFAR1AKR1C2AKR1C1MEN1KMT2A
SCHEMBL3859297 0.79 TSHR (0.47) ERCC5FEN1
SCHEMBL3468255 0.78 PTGDR2 (0.51) ERCC5FEN1FFAR1
SCHEMBL6552230 0.77 TSHR (0.46) ERCC5FEN1
SCHEMBL10802186 0.77 TSHR (0.46) ERCC5FEN1
Hydrochloric Acid SCHEMBL3869297 0.77 TSHR (0.46) ERCC5FEN1
SCHEMBL6554187 0.77 TSHR (0.46) ERCC5FEN1
SCHEMBL25231106 0.76 PTGDR2 (0.46) FFAR1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL3857986 0.76 MAPK1 (0.40) MEN1KMT2ALMNA
SCHEMBL21084000 0.73 CYP11B2 (0.56) ESR2MCL1LMNA

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
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 ESR2 938/4885ERCC5 4856/4885FEN1 4748/4885

“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.