SCHEMBL2079331

SCHEMBL2079331

CC(C)(C)C(=O)Nc1cnccc1C(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TRPV1 Q8NER1 8/20 0.43
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
ROCK2 O75116 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2076801 0.86 ALDH1A1 (0.66) ALDH1A1L3MBTL1TRPV1ROCK2TSHR
SCHEMBL1642548 0.85 TSHR (0.46) ALDH1A1L3MBTL1TRPV1CYP3A4KDM4E
SCHEMBL1643132 0.79 ALDH1A1 (0.48) ALDH1A1L3MBTL1CYP3A4ROCK2TSHR
SCHEMBL1644164 0.78 ALDH1A1 (0.47) ALDH1A1L3MBTL1TRPV1CYP3A4ROCK2
SCHEMBL10533579 0.77 CETP (0.47) ALDH1A1L3MBTL1KDM4ETSHRSMN1; SMN2
SCHEMBL2081210 0.76 NPC1 (0.43) ALDH1A1TRPV1MAPTTSHRNPC1
SCHEMBL1643897 0.75 KMT2A (0.40) ALDH1A1L3MBTL1MAPTKDM4ETSHR
SCHEMBL9846978 0.75 TSHR (0.46) ALDH1A1L3MBTL1TRPV1CYP3A4KDM4E
SCHEMBL1642398 0.75 TSHR (0.44) ALDH1A1ROCK2KDM4ETSHRNPC1
SCHEMBL1643191 0.74 KDM4E (0.46) ALDH1A1MAPTKDM4ETSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906530-B2 1,7-naphthyridine derivatives as p38 MAP kinase inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2011-03-15 US disclosed
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-09 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-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 ALDH1A1 2099/4885L3MBTL1 4231/4885TRPV1 3923/4885

“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.