SCHEMBL3916130

SCHEMBL3916130

N#C/C=C/c1cc([N+](=O)[O-])cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
VCAM1 P19320 1/20 0.38
RPS6KA3 P51812 1/20 0.35
JAK3 P52333 1/20 0.35
PLK1 P53350 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
P2RX1 P51575 3/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL3916132 1.00 FBP1 (0.39) FBP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL3594422 0.81 RPS6KA3 (0.45) FBP1RPS6KA3JAK3KIF11NFE2L2
SCHEMBL3594419 0.81 RPS6KA3 (0.45) FBP1RPS6KA3JAK3KIF11NFE2L2
SCHEMBL29656448 0.78 ALDH1A1 (0.44) FBP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL3508781 0.78 ALDH1A1 (0.44) FBP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL3921456 0.77 VCAM1 (0.41) FBP1ALDH1A1TSHRTDP1VCAM1
SCHEMBL3921458 0.77 VCAM1 (0.41) FBP1ALDH1A1TSHRTDP1VCAM1
SCHEMBL16954679 0.76 TSHR (0.43) FBP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL15542721 0.76 TSHR (0.43) FBP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL16961890 0.76 ALDH1A1 (0.43) FBP1ALDH1A1CYP3A4HPGDALOX15

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
US-20090209552-A1 Organic Compounds NOVARTIS AG 2009-08-20 US disclosed
EP-2032555-A1 PYRROLE DERIVATIVES WITH CRTH2 RECEPTOR MODULATOR ACTIVITY Novartis AG (CH) 2009-03-11 EP disclosed
WO-2007144127-A1 PYRROLE DERIVATIVES WITH CRTH2 RECEPTOR MODULATOR ACTIVITY NOVARTIS AG (CH) 2007-12-21 WO 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-20090209552-A1 Organic Compounds SLCO1B3, SLCO1B1, SLC10A6 FBP1 2862/4885ALDH1A1 439/4885CYP3A4 25/4885

“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.