SCHEMBL791302

SCHEMBL791302

COc1nccc(Oc2ccc(C(=O)N(C)c3cccnc3)cn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.46
TRPV1 Q8NER1 1/20 0.44
NOTUM Q6P988 1/20 0.40
HSD17B10 Q99714 5/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
TP53 P04637 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MLYCD O95822 1/20 0.38
HTR2C P28335 1/20 0.37
GALR3 O60755 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.35
ALOX15 P16050 1/20 0.35
AVPR1A P37288 1/20 0.35
TNF P01375 1/20 0.35
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL790164 0.87 TRPV1 (0.46) OXTRTRPV1NOTUMHSD17B10RAB9A
SCHEMBL791051 0.87 HTT (0.50) OXTRTRPV1HSD17B10KDM4EHTT
SCHEMBL790703 0.86 OXTR (0.49) OXTRTRPV1NOTUMHSD17B10RAB9A
SCHEMBL791150 0.84 OXTR (0.62) OXTRTRPV1NOTUMHSD17B10RAB9A
SCHEMBL789609 0.83 HSD17B1 (0.52) OXTRTRPV1HSD17B10RAB9ANPC1
SCHEMBL12978085 0.82 HSD17B1 (0.54) OXTRTRPV1HSD17B10RAB9ANPC1
SCHEMBL790676 0.81 TRPV1 (0.46) OXTRTRPV1NOTUMHSD17B10RAB9A
SCHEMBL12978060 0.79 LMNA (0.51) OXTRTRPV1HSD17B10RAB9ANPC1
SCHEMBL790834 0.78 HSD17B1 (0.52) OXTRTRPV1NOTUMRAB9ANPC1
SCHEMBL15093433 0.78 RAB9A (0.56) RAB9ANPC1TP53GALR3MAPK1

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 OXTR 1398/4885TRPV1 1012/4885NOTUM 2669/4885

“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.