SCHEMBL3320052

SCHEMBL3320052

CCc1ccc([N+]#N)c(N(O)CC)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
DAO P14920 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
SCHEMBL11417761 0.95 TRPA1 (0.33) TRPA1SIGMAR1
SCHEMBL8722809 0.70 ALDH1A1 (0.40) TRPA1
SCHEMBL3320058 0.65 ALDH1A1 (0.37) TRPA1CYP1A2CYP2A6
SCHEMBL27311927 0.61 HSD17B3 (0.38) CYP1A2
SCHEMBL11503125 0.60 TRPA1 (0.43) TRPA1CYP1A2CYP2A6SIGMAR1
SCHEMBL11679793 0.60 TSHR (0.35) CYP1A2
SCHEMBL18811305 0.59 CYP2A6 (0.46) TRPA1CYP1A2CYP2A6
SCHEMBL6515925 0.58 CYP3A4 (0.41)
SCHEMBL11528407 0.58 TP53 (0.48) TRPA1
Hydrochloric Acid SCHEMBL11434947 0.57

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
EP-1260498-B1 NOVEL COLOR FORMER AND RECORDING MATERIAL CHEMIPRO KASEI KAISHA LTD (JP) 2014-07-09 EP disclosed
US-7807738-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2010-10-05 US disclosed
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL KABASHIMA KAZUO 2010-04-29 US disclosed
US-7635662-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2009-12-22 US disclosed
EP-1260498-A1 NOVEL COLOR FORMER AND RECORDING MATERIAL Asahi Kasei Kabushiki Kaisha (JP) 2002-11-27 EP disclosed
US-20010044553-A1 Novel compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2001-11-22 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 (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-20010044553-A1 Novel compound for color-producing composition, and recording material UROD, UMPS, UGT1A10 TRPA1 345/4885CYP1A2 549/4885CYP2A6 1756/4885
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL UMPS, UROD, UGP2 TRPA1 265/4885CYP1A2 451/4885CYP2A6 2010/4885

“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.