SCHEMBL4086732

SCHEMBL4086732

CCOC(=O)c1cc2sc(C#Cc3ccccc3)cc2n1Cc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
TSHR P16473 3/20 0.55
ALDH1A1 P00352 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
POLB P06746 1/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
GLA P06280 1/20 0.46
THRB P10828 2/20 0.45
TP53 P04637 2/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
CCR2 P41597 1/20 0.44
F10 P00742 3/20 0.44
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 2/20 0.43
GRM5 P41594 1/20 0.42

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
SCHEMBL4102959 0.91 MAPT (0.58) MAPTTSHRALDH1A1TDP1POLB
SCHEMBL4096233 0.88 CCR2 (0.57) MAPTCCR2
SCHEMBL4099860 0.82 MAPT (0.56) MAPTTSHRALDH1A1TDP1POLB
SCHEMBL4091277 0.79 CCR2 (0.47) MAPTTHRBTP53CCR2
SCHEMBL4097557 0.77 CCR2 (0.47) MAPTTHRBCCR2
SCHEMBL6307843 0.76 NOD2 (0.74) MAPTTSHRALDH1A1TDP1POLB
SCHEMBL4086421 0.75 MAPT (0.48) MAPTTSHRALDH1A1TDP1POLB
SCHEMBL1503984 0.74 NOD2 (0.67) MAPTTSHRALDH1A1TDP1POLB
SCHEMBL4086171 0.74 MAPT (0.61) MAPTTSHRALDH1A1TDP1POLB
SCHEMBL4086613 0.73 MAPT (0.50) MAPTTSHRALDH1A1TDP1POLB

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 MAPT 54/4885TSHR 560/4885ALDH1A1 2718/4885

“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.