SCHEMBL3320058

SCHEMBL3320058

CCc1ccc([N+]#N)c(NCCO)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GLA P06280 2/20 0.36
TRPA1 O75762 1/20 0.34
KAT2B Q92831 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 2/20 0.31
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31
BRD4 O60885 1/20 0.31
RECQL P46063 1/20 0.31
MAPK1 P28482 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 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
SCHEMBL10438804 0.73 VDR (0.43) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL8722812 0.72 KDM4E (0.39) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5983182 0.67 KAT2B (0.69) ALDH1A1MEN1KMT2ALMNAMAPT
Sulfuric Acid SCHEMBL9334547 0.67 MAPT (0.38) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL10676866 0.66 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL10684601 0.65 RAPGEF4 (0.47) ALDH1A1MEN1KMT2AMAPTCYP2C19
SCHEMBL28091175 0.65 TRPA1 (0.53) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3320052 0.65 TRPA1 (0.36) TRPA1CYP1A2CYP2A6
SCHEMBL12693710 0.64 HCAR3 (0.45) ALDH1A1KDM4EHPGDGAAPOLB
SCHEMBL25715010 0.62 NOS2 (0.46) ALDH1A1MEN1KMT2AKDM4EGAA

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 ALDH1A1 99/4885MEN1 2605/4885KMT2A 1022/4885
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL UMPS, UROD, UGP2 ALDH1A1 147/4885MEN1 1881/4885KMT2A 1121/4885

“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.