SCHEMBL5861609

SCHEMBL5861609

O=[N+]([O-])Cc1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
NR1D1 P20393 1/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.35
EPAS1 Q99814 1/20 0.35
MEN1 O00255 1/20 0.35
PLA2G1B P04054 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL31143050 0.81 TSHR (0.43) TDP1ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL3012993 0.74 TAAR1 (0.51) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL17062167 0.74 IDO1 (0.41) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL29751640 0.73 ALDH1A1 (0.56) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL1361857 0.73 ALDH1A1 (0.56) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL361712 0.73 TSHR (0.36) ALDH1A1TSHRIDO1DAO
SCHEMBL28057460 0.72 FBP1 (0.47) NR1D1KMT2AIDO1DAO
SCHEMBL630541 0.72 RXRA (0.45) CYP3A4TDP1SLC13A3MEN1PLA2G1B
SCHEMBL5730059 0.72 IDO1 (0.44) CYP3A4TDP1SLC13A3MEN1PLA2G1B
SCHEMBL257077 0.72 RAPGEF4 (0.41) CYP3A4TDP1SLC13A3MEN1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012146-B2 Ion channel modulating agents POSEIDON PHARMACEUTICALS A/S (DK) 2006-03-14 US disclosed
US-20020169203-A1 Ion channel modulating agents NEUROSEARCH A/S (DK) 2002-11-14 US disclosed
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 EP disclosed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 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-20020169203-A1 Ion channel modulating agents KCNN3, KCNN1, KCNN2 CYP3A4 4157/4885TDP1 4307/4885ALDH1A1 4482/4885

“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.