SCHEMBL789916

SCHEMBL789916

O=C(Nc1cccnc1)c1ccc(Sc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.65
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
BRAF P15056 3/20 0.55
TNF P01375 1/20 0.54
NOD1 Q9Y239 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDR P35968 3/20 0.54
CYP11B1 P15538 3/20 0.54
CYP11B2 P19099 3/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
NAMPT P43490 5/20 0.53
LMNA P02545 1/20 0.52
HIF1A Q16665 1/20 0.52
TRPV1 Q8NER1 1/20 0.50

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
SCHEMBL15093304 0.91 EPHX2 (0.64) EPHX2NPC1RAB9ATNFNOD1
SCHEMBL790555 0.86 CYP11B2 (0.70) NPC1RAB9ABRAFKDRCYP11B1
SCHEMBL15093435 0.85 NAMPT (0.68) NPC1RAB9ACYP11B1CYP11B2NAMPT
SCHEMBL27927283 0.85 EPHX2 (0.87) EPHX2NPC1RAB9ATNFNOD1
SCHEMBL789589 0.83 RAB9A (0.70) NPC1RAB9ABRAFCYP11B1CYP11B2
SCHEMBL789647 0.82 CYP11B1 (0.71) NPC1RAB9ACYP11B1CYP11B2MEN1
SCHEMBL790263 0.80 LMNA (0.61) NPC1RAB9ACYP11B1CYP11B2NAMPT
SCHEMBL789622 0.78 RAB9A (0.78) EPHX2NPC1RAB9ATNFNOD1
SCHEMBL789978 0.78 LMNA (0.64) NPC1RAB9ACYP11B1CYP11B2NAMPT
SCHEMBL12977924 0.78 CYP11B1 (0.66) EPHX2NPC1RAB9ACYP11B1CYP11B2

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
EP-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 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-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C EPHX2 1004/4885NPC1 2203/4885RAB9A 1112/4885

“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.