SCHEMBL4097248

SCHEMBL4097248

CCOC(=O)c1cc2sc(Br)cc2n1Cc1ccccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.51
MAPT P10636 6/20 0.51
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
POLB P06746 2/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 6/20 0.50
HSD17B10 Q99714 2/20 0.50
RECQL P46063 1/20 0.50
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GLA P06280 1/20 0.46
USP2 O75604 2/20 0.45
NOD2 Q9HC29 1/20 0.45

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
SCHEMBL4086190 0.82 MAPT (0.56) TSHRMAPTALDH1A1TDP1POLB
SCHEMBL4096205 0.81 MAPT (0.55) TSHRMAPTALDH1A1TDP1POLB
SCHEMBL16532990 0.80 ALDH1A1 (0.53) TSHRMAPTALDH1A1TDP1POLB
SCHEMBL4099860 0.80 MAPT (0.56) TSHRMAPTALDH1A1TDP1POLB
SCHEMBL7516697 0.78 MAPT (0.52) TSHRMAPTALDH1A1TDP1POLB
SCHEMBL4086171 0.70 MAPT (0.61) TSHRMAPTALDH1A1TDP1POLB
SCHEMBL14120769 0.69 TDP1 (0.56) MAPTALDH1A1TDP1POLBKDM4E
SCHEMBL4102959 0.68 MAPT (0.58) TSHRMAPTALDH1A1TDP1POLB
SCHEMBL14976726 0.68 TSHR (1.00) TSHRMAPTALDH1A1TDP1POLB
SCHEMBL21822412 0.67 NOD2 (0.54) TSHRMAPTALDH1A1TDP1POLB

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 54/4885ALDH1A1 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.