SCHEMBL789922

SCHEMBL789922

CN(C(=O)c1ccc(N2CCOCC2)nc1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPT P10636 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 1/20 0.45
RAB9A P51151 3/20 0.44
NAMPT P43490 1/20 0.44
STAT3 P40763 1/20 0.44
MLNR O43193 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43

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
SCHEMBL789607 0.90 TRPV1 (0.49) ALDH1A1HSD17B10KDM4EPOLBHPGD
SCHEMBL791973 0.89 TRPV1 (0.48) ALDH1A1HSD17B10KDM4EPOLBHPGD
SCHEMBL789619 0.86 HTT (0.53) ALDH1A1HSD17B10KDM4EPOLBHPGD
SCHEMBL19211929 0.77 TP53 (0.40) ALDH1A1HSD17B10KDM4EPOLBCYP1A2
SCHEMBL790740 0.77 TRPV1 (0.57) ALDH1A1HSD17B10KDM4EALOX15CYP1A2
SCHEMBL16704187 0.76 TP53 (0.46) POLBMAPTTRPV1SMN1; SMN2LMNA
SCHEMBL791262 0.76 HTT (0.56) ALDH1A1HSD17B10KDM4EPOLBHPGD
SCHEMBL12978194 0.75 SMN1; SMN2 (0.65) ALDH1A1MAPTCYP1A2CYP2C19SMN1; SMN2
SCHEMBL790999 0.75 HTT (0.55) ALDH1A1HSD17B10KDM4EPOLBHPGD
SCHEMBL790737 0.74 TRPV1 (0.55) ALDH1A1HSD17B10KDM4EALOX15MAPT

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 ALDH1A1 1153/4885HSD17B10 1318/4885KDM4E 3161/4885

“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.