SCHEMBL305309

SCHEMBL305309

CCc1cc(O)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
SNCA P37840 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 2/20 0.47
ALOX12 P18054 1/20 0.47
GPR35 Q9HC97 5/20 0.43
PDK1 Q15118 1/20 0.42
MAPK1 P28482 3/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
VCAM1 P19320 3/20 0.39
PGK1 P00558 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39

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
SCHEMBL7786706 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4PDK1MAPK1TSHR
SCHEMBL305109 0.81 ALDH1A1 (0.55) ALDH1A1SNCACYP3A4ALOX15ALOX12
SCHEMBL14928472 0.80 TSHR (0.42) ALDH1A1CYP3A4GPR35PDK1MAPK1
SCHEMBL1425442 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4PDK1MAPK1TSHR
SCHEMBL12658937 0.79 PDK1 (0.45) ALDH1A1SNCACYP3A4ALOX15ALOX12
SCHEMBL11555308 0.79 ALDH1A1 (0.69) ALDH1A1SNCACYP3A4ALOX15ALOX12
SCHEMBL6028713 0.79 SNCA (0.50) ALDH1A1SNCACYP3A4ALOX15ALOX12
SCHEMBL305329 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4ALOX15GPR35MAPK1
SCHEMBL12776823 0.77 SNCA (0.74) ALDH1A1SNCACYP3A4ALOX15ALOX12
SCHEMBL11127500 0.77 PDK1 (0.46) ALDH1A1SNCACYP3A4ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103339112-A Topical antifungal agent MEIJI SEIKA PHARMA CO LTD 2013-10-02 CN disclosed
US-8093244-B2 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS CORPORATION (US) 2012-01-10 US disclosed
CN-102219784-A Heteroaryl urea derivatives useful for inhibition of CHK1 ICOS CORP 2011-10-19 CN disclosed
CN-101151259-B Heteroaryl urea derivatives useful for inhibition of CHK1 ICOS CORP 2011-06-15 CN disclosed
EP-2330105-A1 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS Corporation (US) 2011-06-08 EP disclosed
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 US disclosed
CN-101151259-A Heteroaryl urea derivatives useful for inhibition of CHKI ICOS CORP (US) 2008-03-26 CN disclosed
EP-1869020-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS Corporation (US) 2007-12-26 EP disclosed
WO-2006105262-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHKl ICOS CORPORATION (US) 2006-10-05 WO 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-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 CHEK1, CHEK2, PCNA ALDH1A1 3398/4885SNCA 2302/4885CYP3A4 3803/4885

“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.