SCHEMBL1806009

SCHEMBL1806009

O=[N+]([O-])C=Cc1cccc(F)c1O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.55
RXRA P19793 1/20 0.51
FBP1 P09467 11/20 0.47
PRMT1 Q99873 1/20 0.46
VCP P55072 2/20 0.45
EGFR P00533 2/20 0.44
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
MCL1 Q07820 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ABL1 P00519 1/20 0.41
ABL2 P42684 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
SCHEMBL1806005 1.00 ERN1 (0.55) ERN1RXRAFBP1PRMT1VCP
SCHEMBL1805981 0.82 RXRA (0.54) ERN1RXRAFBP1PRMT1EGFR
SCHEMBL17103950 0.82 RXRA (0.54) RXRAFBP1PRMT1VCPTLR4
SCHEMBL1805984 0.82 RXRA (0.54) ERN1RXRAFBP1PRMT1EGFR
SCHEMBL17103952 0.82 RXRA (0.54) RXRAFBP1PRMT1VCPTLR4
SCHEMBL470811 0.82 NFE2L2 (0.58) RXRAFBP1PRMT1VCPTLR4
SCHEMBL30914655 0.82 NFE2L2 (0.58) RXRAFBP1PRMT1VCPTLR4
SCHEMBL4723192 0.82 NFE2L2 (0.58) RXRAFBP1PRMT1VCPTLR4
SCHEMBL17104088 0.79 RXRA (0.51) RXRAFBP1PRMT1VCPTLR4
SCHEMBL1805948 0.79 RXRA (0.51) ERN1RXRAFBP1PRMT1VCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C ERN1 4806/4885RXRA 1561/4885FBP1 1493/4885

“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.