SCHEMBL789609

SCHEMBL789609

COc1ccc(Oc2ccc(C(=O)N(C)c3cccnc3)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
OXTR P30559 1/20 0.49
TRPV1 Q8NER1 1/20 0.47
KMT2A Q03164 4/20 0.46
LIPE Q05469 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
GALR3 O60755 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL12978085 0.99 HSD17B1 (0.54) HSD17B1HSD17B2RAB9ANPC1TP53
SCHEMBL12978060 0.91 LMNA (0.51) HSD17B1HSD17B2RAB9ANPC1TP53
SCHEMBL790834 0.91 HSD17B1 (0.52) HSD17B1HSD17B2RAB9ANPC1OXTR
SCHEMBL790776 0.90 LIPE (0.54) HSD17B1HSD17B2RAB9ANPC1TP53
SCHEMBL791674 0.90 TRPV1 (0.47) HSD17B1HSD17B2RAB9ANPC1TP53
SCHEMBL791150 0.88 OXTR (0.62) HSD17B1HSD17B2RAB9ANPC1TP53
SCHEMBL790921 0.88 RAB9A (0.59) RAB9ANPC1TRPV1LIPEPOLB
SCHEMBL791850 0.88 TRPV1 (0.47) HSD17B1HSD17B2RAB9ANPC1TP53
SCHEMBL12978070 0.87 TRPV1 (0.44) HSD17B1HSD17B2RAB9ANPC1TP53
SCHEMBL790934 0.87 MLNR (0.46) RAB9ANPC1TP53HSD17B10OXTR

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 1841/4885RAB9A 1112/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR HSD17B1 4250/4885HSD17B2 4545/4885RAB9A 1806/4885

“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.