SCHEMBL790175

SCHEMBL790175

CN(C(=O)c1cnc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 4/20 0.53
GPBAR1 Q8TDU6 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
APEX1 P27695 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
SCN9A Q15858 1/20 0.42
MAPK1 P28482 1/20 0.41
RAB9A P51151 2/20 0.41
GRM5 P41594 1/20 0.41
P2RX3 P56373 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL789940 0.89 LIPE (0.50) LIPEGPBAR1SMN1; SMN2RAB9ANPC1
SCHEMBL789627 0.89 LIPE (0.47) LIPEGPBAR1TRPV1TSHRHSD17B1
SCHEMBL12978097 0.89 LIPE (0.47) LIPEGPBAR1TRPV1LMNATSHR
SCHEMBL790794 0.89 LIPE (0.57) LIPEGPBAR1LMNASMN1; SMN2RAB9A
SCHEMBL790846 0.88 ALDH1A1 (0.46) LIPETRPV1LMNASMN1; SMN2RAB9A
SCHEMBL790803 0.86 HTT (0.49) LIPEGPBAR1LMNACYP2C9TSHR
SCHEMBL790776 0.83 LIPE (0.54) LIPETRPV1LMNAHSD17B1HSD17B2
SCHEMBL791062 0.77 HRH3 (0.48) LIPEGPBAR1TRPV1HSD17B1HSD17B2
SCHEMBL791303 0.76 HTT (0.45) LIPELMNACYP2C9SMN1; SMN2RAB9A
SCHEMBL790218 0.76 LIPE (0.50) LIPEGPBAR1LMNACYP2C9SMN1; SMN2

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 LIPE 4781/4885GPBAR1 1143/4885TRPV1 1012/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR LIPE 3068/4885GPBAR1 4037/4885TRPV1 2769/4885

“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.