SCHEMBL791672

SCHEMBL791672

N#Cc1cccc(Oc2ccc(C(=O)Nc3cccnc3)cn2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.61
CYP11B1 P15538 1/20 0.60
CYP11B2 P19099 1/20 0.60
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MAPK1 P28482 2/20 0.54
TNF P01375 1/20 0.54
NOD1 Q9Y239 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GALR3 O60755 1/20 0.54
BRAF P15056 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.53
RECQL P46063 1/20 0.53
SGMS2 Q8NHU3 1/20 0.52
TSHR P16473 2/20 0.52
HRH3 Q9Y5N1 1/20 0.52
CXCR1 P25024 1/20 0.50
CXCR2 P25025 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
SCHEMBL791160 0.89 CYP11B1 (0.70) GRM5CYP11B1CYP11B2RAB9ANPC1
SCHEMBL789625 0.84 GRM5 (0.64) GRM5CYP11B1CYP11B2RAB9ANPC1
SCHEMBL791144 0.84 RAB9A (0.60) GRM5RAB9ANPC1MAPK1TNF
SCHEMBL789590 0.82 RAB9A (0.62) RAB9ANPC1MAPK1TNFNOD1
SCHEMBL789615 0.82 RAB9A (0.71) RAB9ANPC1MAPK1TNFNOD1
SCHEMBL15093297 0.80 CSF1R (0.58) GRM5CYP11B1CYP11B2RAB9ANPC1
SCHEMBL15847396 0.80 BRAF (0.77) GRM5CYP11B1CYP11B2MAPK1BRAF
SCHEMBL15093116 0.80 CYP11B1 (0.60) GRM5CYP11B1CYP11B2RAB9ANPC1
SCHEMBL15093569 0.80 NAMPT (0.60) RAB9ANPC1MAPK1TNFNOD1
SCHEMBL12416708 0.80 GRM5 (0.73) GRM5MAPK1BRAFTSHR

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 GRM5 47/4885CYP11B1 396/4885CYP11B2 308/4885

“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.