SCHEMBL1805948

SCHEMBL1805948

O=[N+]([O-])/C=C/c1cccc(Br)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
FBP1 P09467 9/20 0.47
PRMT1 Q99873 1/20 0.46
EGFR P00533 2/20 0.44
TLR4 O00206 1/20 0.44
TLR2 O60603 1/20 0.44
HSP90AA1 P07900 2/20 0.43
VCP P55072 2/20 0.41
ABL1 P00519 1/20 0.41
ABL2 P42684 1/20 0.41
ERN1 O75460 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.39
S1PR4 O95977 1/20 0.39
ITGA4 P13612 1/20 0.39
HPGD P15428 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL1805953 1.00 RXRA (0.51) RXRAFBP1PRMT1EGFRTLR4
SCHEMBL1805984 0.82 RXRA (0.54) RXRAFBP1PRMT1EGFRTLR4
SCHEMBL1805981 0.82 RXRA (0.54) RXRAFBP1PRMT1EGFRTLR4
SCHEMBL2297146 0.82 RXRA (0.58) RXRAFBP1PRMT1EGFRTLR4
SCHEMBL29742372 0.82 RXRA (0.58) RXRAFBP1PRMT1EGFRTLR4
SCHEMBL2297149 0.82 RXRA (0.58) RXRAFBP1PRMT1EGFRTLR4
SCHEMBL31627766 0.79 RXRA (0.51) RXRAFBP1PRMT1TLR4TLR2
SCHEMBL1806009 0.79 ERN1 (0.55) RXRAFBP1PRMT1EGFRTLR4
SCHEMBL11756854 0.79 ERN1 (0.67) RXRAFBP1PRMT1EGFRTLR4
SCHEMBL1806005 0.79 ERN1 (0.55) RXRAFBP1PRMT1EGFRTLR4

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 RXRA 1561/4885FBP1 1493/4885PRMT1 1413/4885

“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.