SCHEMBL14891503

SCHEMBL14891503

Cc1ccc(N)c2c(=O)[nH]c(=O)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
TYMP P19971 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
GLA P06280 3/20 0.38
GAA P10253 3/20 0.38
HSD17B10 Q99714 1/20 0.38
CHEK1 O14757 1/20 0.36
ATAD2 Q6PL18 1/20 0.35
GDA Q9Y2T3 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TYMS P04818 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6669696 0.84 KDM4E (0.52) KDM4ETYMPHCAR2ALDH1A1HPGD
SCHEMBL6674677 0.75 NQO2 (0.54) KDM4EHCAR2ALDH1A1HPGDGAA
SCHEMBL4560641 0.75 KDM4E (0.46) KDM4ECHEK1ATAD2GDAMAPT
SCHEMBL6388455 0.73 KDM4E (0.38) KDM4EHCAR2ALDH1A1HPGDGLA
SCHEMBL9936869 0.71 AHR (0.44) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL14892522 0.70 GRIA1 (0.41) KDM4ETYMPHCAR2ALDH1A1HPGD
SCHEMBL14892531 0.70 KDM4E (0.57) KDM4ETYMPALDH1A1HPGDGLA
Hydrochloric Acid SCHEMBL9935733 0.69 AHR (0.42) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL6671371 0.69 NQO2 (0.56) KDM4EHCAR2ALDH1A1HPGDGAA
SCHEMBL14034689 0.68 MEN1 (0.60) KDM4EALDH1A1HPGDGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592069-B1 METHOD OF PRODUCING TOLUENEDICARBAMATE AND METHOD OF PRODUCING TOLUENEDIISOCYANATE MITSUI CHEMICALS INC (JP) 2019-04-24 EP disclosed
US-8742164-B2 Method for producing toluenedicarbamate, method for producing toluenediisocyanate, and toluenedicarbamate MITSUI CHEMICALS, INC. (JP) 2014-06-03 US disclosed
EP-2592069-A1 METHOD OF PRODUCING TOLUENEDICARBAMATE, METHOD OF PRODUCING TOLUENEDIISOCYANATE, AND TOLUENEDICARBAMATE Mitsui Chemicals, Inc. (JP) 2013-05-15 EP disclosed
US-20130109881-A1 METHOD FOR PRODUCING TOLUENEDICARBAMATE, METHOD FOR PRODUCING TOLUENEDIISOCYANATE, AND TOLUENEDICARBAMATE MITSUI CHEMICALS, INC. 2013-05-02 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-20130109881-A1 METHOD FOR PRODUCING TOLUENEDICARBAMATE, METHOD FOR PRODUCING TOLUENEDIISOCYANATE, AND TOLUENEDICARBAMATE CPS1, TST, ALKBH3 KDM4E 414/4885TYMP 178/4885HCAR2 1107/4885

“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.