SCHEMBL789972

SCHEMBL789972

O=C(Nc1cccnc1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.62
NPC1 O15118 5/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
TNF P01375 1/20 0.62
NOD1 Q9Y239 1/20 0.62
TP53 P04637 1/20 0.59
RECQL P46063 1/20 0.59
GALR3 O60755 1/20 0.57
MAPK1 P28482 1/20 0.57
ABL1 P00519 7/20 0.56
LIPE Q05469 1/20 0.55
OPRM1 P35372 1/20 0.55
KCNH2 Q12809 1/20 0.55
CXCR1 P25024 1/20 0.55
CXCR2 P25025 1/20 0.55
LMNA P02545 1/20 0.52
HIF1A Q16665 1/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
CYP11B1 P15538 1/20 0.51

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
SCHEMBL789590 0.91 RAB9A (0.62) RAB9ANPC1L3MBTL1TNFNOD1
SCHEMBL789622 0.89 RAB9A (0.78) RAB9ANPC1L3MBTL1TNFNOD1
SCHEMBL12978270 0.87 RAB9A (0.74) RAB9ANPC1TP53RECQLABL1
SCHEMBL12978054 0.87 RAB9A (0.62) RAB9ANPC1L3MBTL1TNFNOD1
SCHEMBL789931 0.85 NAMPT (0.68) RAB9ANPC1L3MBTL1TNFNOD1
SCHEMBL791892 0.85 CYP11B1 (0.68) RAB9ANPC1L3MBTL1TNFNOD1
SCHEMBL790020 0.85 RAB9A (0.75) RAB9ANPC1L3MBTL1TNFNOD1
SCHEMBL790679 0.85 CYP11B1 (0.68) RAB9ANPC1L3MBTL1TNFNOD1
SCHEMBL15093145 0.85 RAB9A (0.66) RAB9ANPC1L3MBTL1TNFNOD1
SCHEMBL789920 0.85 RAB9A (0.78) RAB9ANPC1L3MBTL1TNFNOD1

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 2203/4885L3MBTL1 818/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR RAB9A 1806/4885NPC1 4631/4885L3MBTL1 1263/4885

“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.