SCHEMBL790834

SCHEMBL790834

Cc1ccc(Oc2ccc(C(=O)N(C)c3cccnc3)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.52
HSD17B2 P37059 2/20 0.52
TRPV1 Q8NER1 1/20 0.47
LIPE Q05469 4/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.45
MMP13 P45452 2/20 0.45
KMT2A Q03164 1/20 0.44
OXTR P30559 1/20 0.44
GALR3 O60755 1/20 0.43
MAPK1 P28482 1/20 0.43
NOTUM Q6P988 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL789609 0.91 HSD17B1 (0.52) HSD17B1HSD17B2TRPV1LIPEALDH1A1
SCHEMBL791674 0.90 TRPV1 (0.47) HSD17B1HSD17B2TRPV1LIPERAB9A
SCHEMBL791261 0.90 TRPV1 (0.47) HSD17B1HSD17B2TRPV1LIPEALDH1A1
SCHEMBL12978085 0.90 HSD17B1 (0.54) HSD17B1HSD17B2TRPV1LIPEALDH1A1
SCHEMBL790776 0.90 LIPE (0.54) HSD17B1HSD17B2TRPV1LIPERAB9A
SCHEMBL791850 0.90 TRPV1 (0.47) HSD17B1HSD17B2TRPV1LIPEALDH1A1
SCHEMBL12978060 0.89 LMNA (0.51) HSD17B1HSD17B2TRPV1LIPEALDH1A1
SCHEMBL789965 0.88 HSD17B1 (0.57) HSD17B1HSD17B2TRPV1LIPERAB9A
SCHEMBL790921 0.88 RAB9A (0.59) TRPV1LIPEALDH1A1RAB9ANPC1
SCHEMBL790934 0.87 MLNR (0.46) TRPV1LIPEALDH1A1RAB9ANPC1

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 1841/4885TRPV1 1012/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HSD17B1 4250/4885HSD17B2 4545/4885TRPV1 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.