SCHEMBL2549561

SCHEMBL2549561

O=C(O)NC(CO)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.45
FPR2 P25090 1/20 0.44
PNMT P11086 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.42
PTGS2 P35354 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
IRAK1 P51617 1/20 0.41
PRKX P51817 1/20 0.41
LIMK1 P53667 1/20 0.41
PRKG2 Q13237 1/20 0.41
ROCK1 Q13464 1/20 0.41
PRKG1 Q13976 1/20 0.41

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
SCHEMBL18577188 0.82 ROCK2 (0.57) CYP3A4MAPK1LMNAEPHX2PTGS2
SCHEMBL18577189 0.82 ROCK2 (0.57) CYP3A4MAPK1LMNAEPHX2PTGS2
SCHEMBL5307484 0.79 PSMB5 (0.49) CYP3A4MAPK1LMNAPTGS2ROCK2
SCHEMBL2550398 0.79 ATM (0.48) TACR1PNMTTSHRSMN1; SMN2
SCHEMBL2550395 0.79 ATM (0.48) TACR1PNMTTSHRSMN1; SMN2
SCHEMBL10599864 0.79 PNMT (0.51) TACR1PNMTTSHRSMN1; SMN2HAO1
SCHEMBL6190633 0.77 CNR1 (0.51) CYP3A4MAPK1LMNAROCK2PRKACA
SCHEMBL6539275 0.77 CNR1 (0.51) CYP3A4MAPK1LMNAROCK2PRKACA
SCHEMBL1743704 0.77 CYP3A4 (0.49) CYP3A4MAPK1TSHRLMNASMN1; SMN2
SCHEMBL1744155 0.76 SMN1; SMN2 (0.45) TACR1MAPK1TSHRLMNASMN1; SMN2

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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 TACR1 2637/4885FPR2 277/4885PNMT 3394/4885

“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.