SCHEMBL7976305

SCHEMBL7976305

COC(=O)c1ccc2nc(C)c(C(=O)/C=C/N(C)C)n2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 6/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRIM33 Q9UPN9 3/20 0.40
TRIM24 O15164 1/20 0.40
MEN1 O00255 2/20 0.40
BRD4 O60885 1/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
RECQL P46063 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL7976791 0.83 LMNA (0.53) KMT2AMAPTALDH1A1HPGDPOLB
SCHEMBL7981635 0.83 MAPT (0.43) KMT2AMAPTALDH1A1HPGDPOLB
SCHEMBL7964771 0.80 KMT2A (0.52) KMT2AALDH1A1HPGDPOLBGAA
SCHEMBL7991577 0.78 LMNA (0.43) KMT2AMAPTALDH1A1HPGDPOLB
SCHEMBL7977457 0.78 GAA (0.46) KMT2AMAPTALDH1A1HPGDPOLB
SCHEMBL7964747 0.75 LMNA (0.65) KMT2AMAPTALDH1A1HPGDPOLB
SCHEMBL15049916 0.74 KMT2A (0.48) KMT2AMAPTALDH1A1HPGDPOLB
SCHEMBL15289941 0.73 BRD4 (0.45) KMT2AMAPTALDH1A1HPGDRAB9A
SCHEMBL13666835 0.73 BRD4 (0.45) KMT2AMAPTALDH1A1HPGDRAB9A
SCHEMBL7964745 0.73 MAPT (0.52) KMT2AMAPTALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 KMT2A 216/4885MAPT 2011/4885ALDH1A1 2855/4885

“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.