SCHEMBL1804693

SCHEMBL1804693

O=[N+]([O-])/C=C/c1cc(F)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.53
EGFR P00533 3/20 0.53
ABL1 P00519 1/20 0.53
ABL2 P42684 1/20 0.53
VCP P55072 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GALR2 O43603 1/20 0.45
MAPK1 P28482 1/20 0.45
SYK P43405 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AR P10275 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ERN1 O75460 1/20 0.41
TLR4 O00206 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
SCHEMBL1804695 1.00 FBP1 (0.53) FBP1EGFRABL1ABL2VCP
SCHEMBL612345 0.82 FBP1 (0.56) FBP1VCPALDH1A1LMNAMAPT
SCHEMBL612346 0.82 FBP1 (0.56) FBP1VCPALDH1A1LMNAMAPT
SCHEMBL18524314 0.79 FBP1 (0.53) FBP1EGFRABL1ABL2VCP
SCHEMBL11851955 0.79 ERN1 (0.55) FBP1EGFRABL1ABL2VCP
SCHEMBL11852996 0.79 ERN1 (0.55) FBP1EGFRABL1ABL2VCP
SCHEMBL18524315 0.79 FBP1 (0.53) FBP1EGFRABL1ABL2VCP
SCHEMBL28513339 0.79 ERN1 (0.55) FBP1EGFRABL1ABL2VCP
SCHEMBL147060 0.79 FBP1 (0.56) FBP1VCPALDH1A1LMNAMAPT
SCHEMBL121050 0.79 FBP1 (0.56) FBP1VCPALDH1A1LMNAMAPT

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 FBP1 1493/4885EGFR 1357/4885ABL1 3875/4885

“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.