SCHEMBL4097150

SCHEMBL4097150

O=C(O)c1c(C#Cc2ccccc2)c2sc(C#Cc3ccccc3)cc2n1Cc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.47
CCR2 P41597 6/20 0.45
ERCC5 P28715 1/20 0.42
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK10 P53779 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
PPARG P37231 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4096233 0.80 CCR2 (0.57) CCR2ERCC5MAPT
SCHEMBL4086732 0.72 MAPT (0.55) CCR2MAPTALDH1A1CYP3A4CYP1A2
SCHEMBL4091277 0.70 CCR2 (0.47) PTGESCCR2MAPTTP53
SCHEMBL4086716 0.70 PTGES (0.50) PTGESCCR2ERCC5MAPTALDH1A1
SCHEMBL4097557 0.68 CCR2 (0.47) PTGESCCR2MAPTALOX5
SCHEMBL4086016 0.67 CCR2 (0.49) PTGESCCR2MAPTALDH1A1ALOX5
SCHEMBL6303341 0.67 MAPT (0.58) CCR2MAPTALDH1A1CYP3A4CYP1A2
SCHEMBL4086414 0.66 CCR2 (0.48) CCR2
SCHEMBL2557101 0.66 KMT2A (0.78) CCR2MAPTALDH1A1CYP3A4CYP1A2
SCHEMBL4096957 0.65 PTGES (0.52) PTGESCCR2ERCC5MAPTPPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES PTGES 3/4885CCR2 1118/4885ERCC5 3540/4885

“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.