SCHEMBL16008516

SCHEMBL16008516

CCOC(=O)c1c(C=O)c[nH]c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 2/20 0.47
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 2/20 0.45
PDE4D Q08499 1/20 0.45
CYP3A4 P08684 2/20 0.44
USP2 O75604 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 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
Dimethylformamide SCHEMBL16149805 0.93 SMN1; SMN2 (0.49) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL1316433 0.79 NOTUM (0.57) SMN1; SMN2MAPTNPC1RAB9ALMNA
Methane SCHEMBL27742710 0.77 SMN1; SMN2 (0.55) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL23498573 0.77 SMN1; SMN2 (0.68) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL4751143 0.77 CA12 (0.56) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL29952846 0.77 NOTUM (0.44) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL3030787 0.77 ALDH1A1 (0.50) SMN1; SMN2RAB9ALMNAHPGDALDH1A1
SCHEMBL4544350 0.76 SMN1; SMN2 (0.54) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL21428169 0.76 SMN1; SMN2 (0.54) SMN1; SMN2MAPTNPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL11460275 0.75 SMN1; SMN2 (0.52) SMN1; SMN2MAPTNPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970262-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-9050346-B2 Bromodomain inhibitors ABBVIE INC. (US) 2015-06-09 US disclosed
WO-2014164771-A1 BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140256705-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-09-11 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-20140256705-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 SMN1; SMN2 2785/4885MAPT 1922/4885NPC1 2179/4885

“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.