SCHEMBL7978701

SCHEMBL7978701

CN(C)/C=C/C(=O)c1c(C(F)(F)F)nc2ccccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.43
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 5/20 0.42
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40

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
SCHEMBL29544092 0.84 LMNA (0.52) LMNARAB9ANPC1SMN1; SMN2HTT
SCHEMBL10255400 0.83 ALDH1A1 (0.41) LMNARAB9ANPC1SMN1; SMN2HTT
SCHEMBL7964747 0.82 LMNA (0.65) LMNARAB9ANPC1SMN1; SMN2HTT
SCHEMBL3755236 0.81 SMN1; SMN2 (0.51) LMNARAB9ANPC1SMN1; SMN2HTT
SCHEMBL3755232 0.81 SMN1; SMN2 (0.51) LMNARAB9ANPC1SMN1; SMN2HTT
SCHEMBL7977363 0.81 MAPT (0.42) LMNARAB9ANPC1SMN1; SMN2HTT
SCHEMBL14159905 0.79 SMN1; SMN2 (0.56) LMNARAB9ANPC1SMN1; SMN2HTT
SCHEMBL7976886 0.79 KMT2A (0.63) LMNARAB9ANPC1SMN1; SMN2HTT
SCHEMBL21816379 0.77 HSD17B10 (0.49) NPC1SMN1; SMN2HTTKMT2ANPSR1
SCHEMBL15742282 0.72 MAPK1 (0.70) RAB9ANPC1SMN1; SMN2KMT2ANPSR1

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 LMNA 1714/4885RAB9A 2608/4885NPC1 2452/4885

“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.