SCHEMBL789996

SCHEMBL789996

O=C(Nc1cccnc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.71
CYP11B2 P19099 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.67
ALDH1A1 P00352 2/20 0.67
POLB P06746 2/20 0.60
RAB9A P51151 5/20 0.58
NPC1 O15118 3/20 0.58
TP53 P04637 1/20 0.58
RECQL P46063 1/20 0.58
LMNA P02545 2/20 0.55
TNF P01375 1/20 0.53
NOD1 Q9Y239 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GALR3 O60755 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
CXCR1 P25024 1/20 0.52
CXCR2 P25025 1/20 0.52
HIF1A Q16665 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
SCHEMBL790020 0.84 RAB9A (0.75) SMN1; SMN2ALDH1A1POLBRAB9ANPC1
SCHEMBL789931 0.84 NAMPT (0.68) SMN1; SMN2POLBRAB9ANPC1TP53
SCHEMBL791892 0.84 CYP11B1 (0.68) CYP11B1CYP11B2SMN1; SMN2POLBRAB9A
SCHEMBL790679 0.84 CYP11B1 (0.68) CYP11B1CYP11B2POLBRAB9ANPC1
SCHEMBL7371634 0.84 CYP11B1 (1.00) CYP11B1CYP11B2SMN1; SMN2ALDH1A1POLB
SCHEMBL12978054 0.84 RAB9A (0.62) ALDH1A1POLBRAB9ANPC1TP53
SCHEMBL12978206 0.83 RAB9A (0.58) SMN1; SMN2POLBRAB9ANPC1TP53
SCHEMBL15093415 0.82 CYP11B1 (0.64) CYP11B1CYP11B2SMN1; SMN2ALDH1A1POLB
SCHEMBL791160 0.82 CYP11B1 (0.70) CYP11B1CYP11B2POLBRAB9ANPC1
SCHEMBL789622 0.82 RAB9A (0.78) POLBRAB9ANPC1TP53RECQL

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 4 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

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 308/4885SMN1; SMN2 1928/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR CYP11B1 1491/4885CYP11B2 1325/4885SMN1; SMN2 2519/4885

“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.