SCHEMBL6525728

SCHEMBL6525728

O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 4/20 0.76
KMT2A Q03164 5/20 0.71
CYP3A4 P08684 3/20 0.71
CYP2C9 P11712 2/20 0.71
LTB4R Q15722 1/20 0.70
TRPA1 O75762 7/20 0.68
TRPM8 Q7Z2W7 4/20 0.68
MEN1 O00255 4/20 0.64
MAPT P10636 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
ALDH1A1 P00352 3/20 0.61
HTT P42858 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
PLA2G1B P04054 1/20 0.58
CYSLTR2 Q9NS75 1/20 0.58
CYSLTR1 Q9Y271 1/20 0.58
HDAC1 Q13547 1/20 0.57
TP53 P04637 2/20 0.57

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
SCHEMBL6525729 1.00 TRPM2 (0.76) TRPM2KMT2ACYP3A4CYP2C9LTB4R
SCHEMBL6097501 0.88 KMT2A (0.72) TRPM2KMT2ACYP3A4CYP2C9LTB4R
SCHEMBL6791025 0.86 ALDH1A1 (0.80) TRPM2KMT2ALTB4RMEN1MAPT
SCHEMBL6791019 0.86 ALDH1A1 (0.80) TRPM2KMT2ALTB4RMEN1MAPT
SCHEMBL2273179 0.86 TRPM2 (0.77) TRPM2KMT2ACYP3A4CYP2C9LTB4R
SCHEMBL2273176 0.86 TRPM2 (0.77) TRPM2KMT2ACYP3A4CYP2C9LTB4R
SCHEMBL294403 0.85 TRPM2 (0.83) TRPM2KMT2ACYP3A4CYP2C9LTB4R
SCHEMBL294402 0.85 TRPM2 (0.83) TRPM2KMT2ACYP3A4CYP2C9LTB4R
SCHEMBL29401064 0.84 TRPM2 (0.81) TRPM2KMT2ACYP3A4CYP2C9LTB4R
SCHEMBL2778920 0.84 TRPM2 (0.81) TRPM2KMT2ACYP3A4CYP2C9LTB4R

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-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS GRAND VALLEY STATE UNIVERSITY 2011-03-03 US claimed
US-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS GRAND VALLEY STATE UNIVERSITY 2011-03-03 US disclosed
US-6127392-A A MUSCLE RELAXANT FOR TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION; INOTROPIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 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-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS NAAA, ELANE, APEH TRPM2 2644/4885KMT2A 1670/4885CYP3A4 3614/4885

“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.