SCHEMBL3869293

SCHEMBL3869293

O=C(Cl)C#Cc1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 4/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 2/20 0.39
ERCC5 P28715 2/20 0.39
FEN1 P39748 2/20 0.39
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
FSCN1 Q16658 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
SRD5A2 P31213 1/20 0.35
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3859297 0.85 TSHR (0.47) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL10802186 0.83 TSHR (0.46) ALDH1A1MAPK1HIF1ATSHRCASP1
Hydrochloric Acid SCHEMBL3869297 0.83 TSHR (0.46) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL6552230 0.83 TSHR (0.46) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL6554187 0.83 TSHR (0.46) ALDH1A1MAPK1HIF1ATSHRCASP1
Potassium Ion SCHEMBL10802180 0.81 ALDH1A1 (0.41) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL6554182 0.81 ALDH1A1 (0.41) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL6552229 0.81 ALDH1A1 (0.41) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL3870663 0.78 MRGPRX4 (0.53) ALDH1A1MAPTPTGDR2MEN1KMT2A
Guanidine SCHEMBL9629187 0.78 SMN1; SMN2 (0.41) ALDH1A1MAPK1HIF1ATSHRCASP1

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 ALDH1A1 4302/4885MAPK1 3887/4885HIF1A 272/4885

“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.