SCHEMBL3059986

SCHEMBL3059986

CCOC(=O)c1cn2cc(-c3cccc(OC)c3)nc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
TP53 P04637 7/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 6/20 0.47
HSD17B10 Q99714 5/20 0.47
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 3/20 0.46
ALOX15 P16050 2/20 0.46
DHODH Q02127 1/20 0.45
CSNK1D P48730 1/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A3 P47895 2/20 0.43
NPC1 O15118 1/20 0.43
CASP1 P29466 1/20 0.43
RAB9A P51151 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
SCHEMBL3062056 0.85 TP53 (0.53) MAPTTP53GAAALDH1A1HPGD
SCHEMBL5017019 0.85 SMN1; SMN2 (0.51) MAPTTP53GAAALDH1A1HPGD
SCHEMBL29924707 0.80 MAPT (0.53) MAPTTP53GAAALDH1A1HPGD
SCHEMBL13088007 0.79 TP53 (0.49) MAPTTP53GAAALDH1A1HPGD
SCHEMBL13087574 0.79 TP53 (0.51) MAPTTP53GAAALDH1A1HPGD
SCHEMBL22117098 0.78 SMN1; SMN2 (0.53) MAPTTP53GAAALDH1A1HPGD
SCHEMBL2315115 0.77 ALDH1A3 (0.55) MAPTTP53GAAALDH1A1HPGD
SCHEMBL13087360 0.77 HDAC1 (0.54) MAPTTP53GAASMN1; SMN2THRB
SCHEMBL3054825 0.76 HDAC1 (0.53) MAPTTP53THRBLMNA
SCHEMBL3054124 0.76 HDAC1 (0.53) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
US-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 US disclosed
WO-2009026446-A9 HDAC INHIBITORS ARQULE, INC. (US) 2010-03-11 WO disclosed
WO-2009026446-A2 HDAC INHIBITORS ARQULE, INC. (US) 2009-02-26 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-20100261710-A1 HDAC Inhibitors HDAC5, HDAC1, HDAC4 MAPT 2440/4885TP53 251/4885GAA 162/4885

“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.