SCHEMBL4095896

SCHEMBL4095896

CCOC(=O)c1cc2scc(Br)c2n1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
MAPT P10636 5/20 0.44
POLB P06746 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 3/20 0.38
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 1/20 0.35
PTPN2 P17706 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.34
ADORA1 P30542 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
SCHEMBL4092409 0.80 TSHR (0.38) TSHRMAPTPOLBALDH1A1TDP1
SCHEMBL1843409 0.80 MAPT (0.50) TSHRMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1841919 0.74 CCR9 (0.49)
SCHEMBL4086605 0.67 TACR1 (0.40) TSHRMAPTPOLBALDH1A1TDP1
SCHEMBL7196183 0.67 SRD5A1 (0.43) TSHRMAPTPOLBALDH1A1TDP1
SCHEMBL16201686 0.66 MAPT (0.49) TSHRMAPTPOLBALDH1A1TDP1
SCHEMBL1843195 0.65 MAPT (0.47) TSHRMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL12930106 0.65 NOD2 (0.58) TSHRMAPTPOLBALDH1A1TDP1
SCHEMBL1996172 0.65 CA12 (0.56) MAPTALDH1A1LMNAGAAL3MBTL1
SCHEMBL3571653 0.65 NOD2 (0.67) SMN1; SMN2KDM4ENOD2NOD1

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 TSHR 560/4885MAPT 54/4885POLB 4223/4885

“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.