SCHEMBL1915754

SCHEMBL1915754

CCCc1ccc(-c2nc(NC(=O)C3CC=CCC3C(=O)O)sc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALDH1A1 P00352 8/20 0.56
HTT P42858 1/20 0.56
POLB P06746 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
HSD17B10 Q99714 2/20 0.47
RORC P51449 1/20 0.45
ALOX5 P09917 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 2/20 0.43

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
SCHEMBL17899119 0.94 MAPT (0.66) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2396558 0.92 ALDH1A1 (0.60) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2417767 0.88 MAPT (0.60) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL17899118 0.88 ALDH1A1 (0.74) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL1914731 0.87 ALDH1A1 (0.62) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL1915954 0.87 MAPT (0.66) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL1915349 0.86 ALDH1A1 (0.60) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1915536 0.85 ALDH1A1 (0.60) MAPTALDH1A1HTTPOLBTDP1
SCHEMBL2398140 0.85 ALDH1A1 (0.76) MAPTCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL2396585 0.83 ALDH1A1 (0.58) MAPTCYP1A2CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US claimed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP claimed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO claimed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO claimed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO claimed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC MAPT 1763/4885CYP1A2 180/4885CYP2C9 234/4885

“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.