SCHEMBL375794

SCHEMBL375794

O=C(Cl)c1ccc(=O)n(-c2c(Cl)cccc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPK14 Q16539 4/20 0.35
HCAR1 Q9BXC0 1/20 0.35
RORC P51449 3/20 0.34
NOTUM Q6P988 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.32
AADAT Q8N5Z0 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1504556 0.90 LMNA (0.39) ALDH1A1MAPK14RORCCYP3A4CYP2C9
SCHEMBL375200 0.87 RORC (0.42) RORCNOTUMCYP3A4CYP2C9CYP2C19
SCHEMBL1504761 0.82 ALDH1A1 (0.38) ALDH1A1MAPK14RORCCYP3A4CYP2C9
SCHEMBL1504750 0.81 LMNA (0.49) ALDH1A1MAPK14CYP3A4CYP2C9CYP2C19
SCHEMBL375198 0.78 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4KDM4ECYP1A2
SCHEMBL11896477 0.76 KDM4E (0.53) ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL4874499 0.75 ALDH1A1 (0.42) ALDH1A1MAPK14RORCKDM4E
SCHEMBL4877819 0.74 MAPK14 (0.49) MAPK14RORCCYP3A4CYP2C9
SCHEMBL3305331 0.74 ALDH1A1 (0.55) ALDH1A1MAPK14HCAR1NOTUMTDP1
SCHEMBL4924074 0.73 MAPK14 (0.41) ALDH1A1MAPK14RORCCYP3A4CYP2C9

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-1810972-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2012-01-25 EP disclosed
US-7713998-B2 Nitrogenous heterocyclic compound and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-05-11 US disclosed
US-20070265308-A1 Nitrogenous Heterocyclic Compound and Pharmaceutical Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-15 US disclosed
EP-1810972-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-25 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-20070265308-A1 Nitrogenous Heterocyclic Compound and Pharmaceutical Use Thereof MAPK1, MAPK13, MAPK6 ALDH1A1 2069/4885MAPK14 6/4885HCAR1 362/4885

“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.