SCHEMBL789920

SCHEMBL789920

CC(C)(C)c1ccc(Oc2ccc(C(=O)Nc3cccnc3)cn2)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.78
MAPK1 P28482 2/20 0.78
GALR3 O60755 1/20 0.78
NPC1 O15118 6/20 0.72
NAMPT P43490 5/20 0.69
TNF P01375 1/20 0.62
NOD1 Q9Y239 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
TP53 P04637 1/20 0.62
RECQL P46063 1/20 0.62
PKM P14618 1/20 0.60
MAPT P10636 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
SLC2A1 P11166 1/20 0.54

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
SCHEMBL789622 0.89 RAB9A (0.78) RAB9AMAPK1GALR3NPC1TNF
SCHEMBL789931 0.88 NAMPT (0.68) RAB9AMAPK1GALR3NPC1NAMPT
SCHEMBL790020 0.88 RAB9A (0.75) RAB9AMAPK1GALR3NPC1TNF
SCHEMBL12978054 0.87 RAB9A (0.62) RAB9AMAPK1GALR3NPC1NAMPT
SCHEMBL790679 0.85 CYP11B1 (0.68) RAB9AMAPK1GALR3NPC1NAMPT
SCHEMBL791892 0.85 CYP11B1 (0.68) RAB9AMAPK1GALR3NPC1NAMPT
SCHEMBL789972 0.85 RAB9A (0.62) RAB9AMAPK1GALR3NPC1TNF
SCHEMBL790138 0.84 RAB9A (0.62) RAB9AMAPK1GALR3NPC1NAMPT
SCHEMBL12978206 0.84 RAB9A (0.58) RAB9AMAPK1GALR3NPC1NAMPT
SCHEMBL791160 0.83 CYP11B1 (0.70) RAB9AMAPK1GALR3NPC1TNF

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 RAB9A 1112/4885MAPK1 1896/4885GALR3 579/4885

“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.