SCHEMBL791892

SCHEMBL791892

O=C(Nc1cccnc1)c1ccc(Oc2ccc(Cl)cc2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.68
CYP11B2 P19099 1/20 0.68
NAMPT P43490 3/20 0.65
RAB9A P51151 6/20 0.62
NPC1 O15118 3/20 0.62
TP53 P04637 1/20 0.62
RECQL P46063 1/20 0.62
KMT2A Q03164 5/20 0.61
MAPT P10636 2/20 0.61
MAPK1 P28482 2/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 2/20 0.59
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TNF P01375 1/20 0.57
NOD1 Q9Y239 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GALR3 O60755 1/20 0.57
HIF1A Q16665 1/20 0.56
CXCR1 P25024 1/20 0.55

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
SCHEMBL15093116 0.90 CYP11B1 (0.60) CYP11B1CYP11B2NAMPTRAB9ANPC1
SCHEMBL790679 0.88 CYP11B1 (0.68) CYP11B1CYP11B2NAMPTRAB9ANPC1
SCHEMBL789931 0.88 NAMPT (0.68) NAMPTRAB9ANPC1TP53RECQL
SCHEMBL790020 0.88 RAB9A (0.75) RAB9ANPC1TP53RECQLKMT2A
SCHEMBL789625 0.88 GRM5 (0.64) CYP11B1CYP11B2NAMPTRAB9ANPC1
SCHEMBL15093297 0.88 CSF1R (0.58) CYP11B1CYP11B2NAMPTRAB9ANPC1
SCHEMBL12978054 0.87 RAB9A (0.62) NAMPTRAB9ANPC1TP53RECQL
SCHEMBL791160 0.85 CYP11B1 (0.70) CYP11B1CYP11B2RAB9ANPC1TP53
SCHEMBL789920 0.85 RAB9A (0.78) NAMPTRAB9ANPC1TP53RECQL
SCHEMBL789622 0.85 RAB9A (0.78) RAB9ANPC1TP53RECQLKMT2A

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
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
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US 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 (2 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 CYP11B1 396/4885CYP11B2 308/4885NAMPT 4575/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR CYP11B1 1491/4885CYP11B2 1325/4885NAMPT 3125/4885

“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.