SCHEMBL17041985

SCHEMBL17041985

N#Cc1c(F)cc(Br)c([N+](=O)[O-])c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
VCAM1 P19320 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
GPR35 Q9HC97 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 4/20 0.33
PKM P14618 2/20 0.33
MAPK1 P28482 1/20 0.32
VCP P55072 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL17042143 0.83 ALDH1A1 (0.38) TRPV4VCAM1TDP1GPR35ALDH1A1
SCHEMBL23580766 0.80 MAPT (0.37) VCAM1TDP1ALDH1A1MAPTPKM
SCHEMBL25791262 0.79 TRPV4 (0.39) TRPV4VCAM1TDP1ALDH1A1MAPT
SCHEMBL17042070 0.78 ALDH1A1 (0.34) ALDH1A1MAPTPKMVCP
SCHEMBL14247533 0.76 VCAM1 (0.47) VCAM1TDP1GPR35ALDH1A1MAPT
SCHEMBL11310115 0.75 VCAM1 (0.34) VCAM1TDP1ALDH1A1MAPTPKM
SCHEMBL30435544 0.75 TRPV4 (0.46) TRPV4
SCHEMBL25791218 0.75 VCAM1 (0.37) TRPV4VCAM1TDP1ALDH1A1MAPT
SCHEMBL8310906 0.74 VCAM1 (0.39) VCAM1TDP1GPR35ALDH1A1MAPT
SCHEMBL659432 0.73 ALDH1A1 (0.45) VCAM1GPR35ALDH1A1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MUTABILIS (FR) 2019-05-28 US disclosed
EP-3110803-B1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2018-07-11 EP disclosed
US-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2017-01-19 US disclosed
EP-3110803-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Mutabilis (FR) 2017-01-04 EP disclosed
WO-2015128333-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LABORATOIRE BIODIM (FR) 2015-09-03 WO disclosed
EP-2913330-A1 Condensed derivatives of imidazole useful as pharmaceuticals LABORATOIRE BIODIM (FR) 2015-09-02 EP 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 (2 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-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MSR1, IFNAR1, NOD2 TRPV4 3045/4885VCAM1 2833/4885TDP1 4609/4885
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MSR1, IFNAR1, NOD2 TRPV4 3045/4885VCAM1 2833/4885TDP1 4609/4885

“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.