SCHEMBL7032441

SCHEMBL7032441

N#Cc1ccc(N)c([N+](=O)[O-])c1.Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
VCAM1 P19320 2/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 4/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
KAT2B Q92831 1/20 0.42
PLK1 P53350 1/20 0.41
KIF11 P52732 1/20 0.41
MAPK1 P28482 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
SCHEMBL30515345 0.87 ALDH1A1 (0.64) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL203082 0.87 VCAM1 (0.64) ALDH1A1VCAM1MAPTLMNATDP1
SCHEMBL204956 0.87 ALDH1A1 (0.64) ALDH1A1MAPTLMNATDP1CYP3A4
SCHEMBL7032442 0.82 MAPK1 (0.52) ALDH1A1VCAM1MAPTLMNAMEN1
2-Nitroaniline SCHEMBL7033834 0.80 VCAM1 (0.55) ALDH1A1VCAM1MAPTLMNATDP1
SCHEMBL9913609 0.77 TSHR (0.51) ALDH1A1VCAM1MAPTLMNATDP1
SCHEMBL463657 0.76 VCAM1 (0.58) ALDH1A1VCAM1MAPTLMNATDP1
SCHEMBL31672177 0.76 VCAM1 (0.58) ALDH1A1VCAM1MAPTLMNATDP1
SCHEMBL31672176 0.76 VCAM1 (0.58) ALDH1A1VCAM1MAPTLMNATDP1
SCHEMBL7032412 0.75 MAPT (0.50) ALDH1A1VCAM1MAPTTDP1CYP3A4

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-20030083315-A1 Human chymase inhibitors TEIJIN LIMITED (JP) 2003-05-01 US disclosed
EP-1167360-A9 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-05-15 EP disclosed
EP-1167360-A1 HUMAN CHYMASE INHIBITORS TEIJIN LIMITED (JP) 2002-01-02 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 (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-20030083315-A1 Human chymase inhibitors CMA1, CTRL, CPA4 ALDH1A1 687/4885VCAM1 1615/4885MAPT 3505/4885

“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.