SCHEMBL7965462

SCHEMBL7965462

COc1cccn2c(C(=O)/C=C/N(C)C)c(C)nc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.41
GUCY1B2 O75343 9/20 0.40
GUCY1A2 P33402 9/20 0.40
GUCY1A1 Q02108 9/20 0.40
GUCY1B1 Q02153 9/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL7977505 0.83 TDP1 (0.49) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7978626 0.79 KMT2A (0.54) MAPTSMN1; SMN2GUCY1B2GUCY1A2GUCY1A1
SCHEMBL7964747 0.76 LMNA (0.65) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL7964745 0.74 MAPT (0.52) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL1684439 0.73 ALDH1A1 (0.55) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL1684435 0.73 ALDH1A1 (0.55) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL7976791 0.72 LMNA (0.53) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL30954413 0.71 NPC1 (0.52) LMNANPC1RAB9AMAPTNPSR1
SCHEMBL12295648 0.70 KDM4E (0.60) LMNASMN1; SMN2HTTGUCY1B2GUCY1A2
SCHEMBL7981635 0.70 MAPT (0.43) LMNANPC1RAB9AMAPTNPSR1

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.