SCHEMBL1106885

SCHEMBL1106885

Nc1ncc(F)cc1-c1cc(Cc2ccc(COc3ccccc3)cc2)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
JAK2 O60674 2/20 0.42
ROCK2 O75116 2/20 0.42
PRKACA P17612 2/20 0.42
CDK2 P24941 2/20 0.42
KDR P35968 2/20 0.42
GSK3B P49841 2/20 0.42
AURKB Q96GD4 2/20 0.42
CDC7 O00311 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
PIM1 P11309 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL510122 0.97 RAB9A (0.44) TDP1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL509542 0.86 PDE10A (0.37) TDP1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL510070 0.84 JAK2 (0.39) TDP1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL511133 0.84 RAB9A (0.45) TDP1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL511300 0.82 MEN1 (0.37) TDP1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL510239 0.81 MAOB (0.44) TDP1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL510555 0.81 TDP1 (0.44) TDP1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL509091 0.81 RAB9A (0.47) TDP1ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL13405562 0.79 GRM5 (0.39) JAK2ROCK2PRKACACDK2KDR
SCHEMBL30026031 0.79 GRM5 (0.39) JAK2ROCK2PRKACACDK2KDR

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
US-8153662-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-10 US disclosed
US-8153662-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-10 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
US-20100160379-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO 2010-06-24 US disclosed
US-20100160379-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF TANAKA KEIGO 2010-06-24 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-20100160379-A1 HETEROCYCLES SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING THEREOF ERG28, CBR3, CBR1 TDP1 4728/4885ALDH1A1 1934/4885RAB9A 2885/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 TDP1 3862/4885ALDH1A1 4326/4885RAB9A 164/4885

“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.