SCHEMBL7976791

SCHEMBL7976791

COc1ccc2nc(C)c(C(=O)/C=C/N(C)C)n2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.53
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
MAPT P10636 5/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 6/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 4/20 0.40
G6PD P11413 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
KLK7 P49862 1/20 0.39
ATM Q13315 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL7991577 0.87 LMNA (0.43) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL7976305 0.83 KMT2A (0.50) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL7964745 0.82 MAPT (0.52) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL7977457 0.80 GAA (0.46) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL4794691 0.79 KMT2A (0.55) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL7964747 0.77 LMNA (0.65) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL7981635 0.73 MAPT (0.43) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL7965462 0.72 LMNA (0.44) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL7976885 0.72 MAPT (0.46) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL27217434 0.70 ALDH1A1 (0.43) LMNANPC1RAB9AMAPTALDH1A1

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-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
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
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 LMNA 1714/4885NPC1 2452/4885RAB9A 2608/4885

“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.