SCHEMBL3570267

SCHEMBL3570267

CCOc1cc(C=O)cc(NC(C)=O)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
RORC P51449 1/20 0.49
GAA P10253 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
TACR2 P21452 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3581732 0.84 ALDH1A1 (0.48) ALDH1A1L3MBTL1RORCGAAKDM4E
SCHEMBL3573696 0.82 GAA (0.52) ALDH1A1L3MBTL1RORCGAAKDM4E
SCHEMBL1121517 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL3570164 0.77 ALDH1A1 (0.55) ALDH1A1RORCGAAKDM4EMEN1
SCHEMBL25658780 0.73 ALDH1A1 (0.61) ALDH1A1RORCGAAKDM4EMEN1
SCHEMBL10891186 0.73 ALDH1A1 (0.70) ALDH1A1L3MBTL1RORCGAAKDM4E
SCHEMBL1004449 0.71 KDM4E (0.69) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL359510 0.71 ALDH1A1 (0.53) ALDH1A1L3MBTL1GAAKDM4EMEN1
SCHEMBL9790016 0.71 ALDH1A1 (0.60) ALDH1A1L3MBTL1GAAKDM4EMEN1
SCHEMBL14606573 0.71 POLB (0.41) ALDH1A1KDM4EMEN1KMT2AMAPT

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-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 ALDH1A1 934/4885L3MBTL1 4667/4885RORC 514/4885

“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.