SCHEMBL789965

SCHEMBL789965

Cc1cccc(Oc2ccc(C(=O)N(C)c3cccnc3)cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.57
HSD17B2 P37059 4/20 0.57
LIPE Q05469 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
OXTR P30559 1/20 0.44
RAB9A P51151 3/20 0.44
GRM5 P41594 2/20 0.44
GALR3 O60755 1/20 0.44
MAPK1 P28482 1/20 0.44
MLNR O43193 1/20 0.43
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
HTR2C P28335 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL791261 0.91 TRPV1 (0.47) HSD17B1HSD17B2LIPETRPV1OXTR
SCHEMBL789585 0.88 HRH3 (0.50) HSD17B1HSD17B2LIPETRPV1OXTR
SCHEMBL790834 0.88 HSD17B1 (0.52) HSD17B1HSD17B2LIPETRPV1OXTR
SCHEMBL789962 0.87 HTT (0.51) HSD17B1HSD17B2OXTRRAB9AGRM5
SCHEMBL790566 0.86 MLNR (0.58) HSD17B1HSD17B2TRPV1OXTRRAB9A
SCHEMBL790255 0.86 LIPE (0.47) HSD17B1HSD17B2LIPETRPV1OXTR
SCHEMBL790936 0.86 RAB9A (0.55) LIPERAB9AGALR3MAPK1MAPT
SCHEMBL12978094 0.85 HTR6 (0.46) HSD17B1HSD17B2LIPETRPV1OXTR
SCHEMBL791850 0.85 TRPV1 (0.47) HSD17B1HSD17B2LIPETRPV1OXTR
SCHEMBL791062 0.84 HRH3 (0.48) HSD17B1HSD17B2LIPETRPV1OXTR

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 HSD17B1 2126/4885HSD17B2 1841/4885LIPE 4781/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HSD17B1 4250/4885HSD17B2 4545/4885LIPE 3068/4885

“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.