SCHEMBL790643

SCHEMBL790643

O=C(Nc1cccnc1)c1ccc(Oc2ccccc2Cl)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
NPC1 O15118 5/20 0.58
NOTUM Q6P988 1/20 0.58
CXCR1 P25024 1/20 0.57
CXCR2 P25025 1/20 0.57
CYP11B2 P19099 3/20 0.56
CYP11B1 P15538 2/20 0.56
TP53 P04637 1/20 0.55
RECQL P46063 1/20 0.55
SGMS2 Q8NHU3 2/20 0.54
LMNA P02545 2/20 0.54
HIF1A Q16665 1/20 0.54
HPGD P15428 1/20 0.54
SLC12A2 P55011 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC12A5 Q9H2X9 1/20 0.54
NAMPT P43490 4/20 0.54
TNF P01375 1/20 0.53
NOD1 Q9Y239 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL15093308 0.88 MEN1 (0.60) NPC1CXCR1CXCR2CYP11B2CYP11B1
SCHEMBL15093148 0.88 CYP11B2 (0.59) RAB9ANPC1CXCR1CXCR2CYP11B2
SCHEMBL15093153 0.87 CYP11B2 (0.57) RAB9ANPC1CXCR1CXCR2CYP11B2
SCHEMBL790261 0.86 NOTUM (0.58) RAB9ANPC1NOTUMCXCR1CXCR2
SCHEMBL12978198 0.84 MEN1 (0.52) RAB9ANPC1CXCR1CXCR2CYP11B2
SCHEMBL15093633 0.84 NOTUM (0.60) RAB9ANPC1NOTUMCXCR1CXCR2
SCHEMBL791892 0.83 CYP11B1 (0.68) RAB9ANPC1CXCR1CXCR2CYP11B2
SCHEMBL15093297 0.82 CSF1R (0.58) RAB9ANPC1CXCR1CXCR2CYP11B2
SCHEMBL15093424 0.82 CYP11B1 (0.56) RAB9ANPC1CXCR1CXCR2CYP11B2
SCHEMBL15093116 0.82 CYP11B1 (0.60) RAB9ANPC1CXCR1CXCR2CYP11B2

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 RAB9A 1112/4885NPC1 2203/4885NOTUM 2669/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR RAB9A 1806/4885NPC1 4631/4885NOTUM 945/4885

“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.