SCHEMBL791972

SCHEMBL791972

CN(C(=O)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)nc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 3/20 0.52
▸ TRPV1 Q8NER1 1/20 0.48
▸ NR1H3 Q13133 1/20 0.41
▸ POLQ O75417 1/20 0.40
▸ HSD17B10 Q99714 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ GPBAR1 Q8TDU6 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL791417 0.85 HTT (0.55) MLYCDTRPV1KMT2AHTTGAA
SCHEMBL12977942 0.84 MLYCD (0.58) MLYCDTRPV1NR1H3POLQKDM4E
SCHEMBL790740 0.79 TRPV1 (0.57) MLYCDTRPV1POLQHSD17B10KDM4E
SCHEMBL12978252 0.78 MLYCD (0.56) MLYCDTRPV1NR1H3POLQHSD17B10
SCHEMBL789948 0.77 TRPV1 (0.53) MLYCDTRPV1HSD17B10KDM4EKMT2A
SCHEMBL790737 0.76 TRPV1 (0.55) MLYCDTRPV1HSD17B10KDM4EKMT2A
SCHEMBL791150 0.74 OXTR (0.62) MLYCDTRPV1HSD17B10KDM4EGPBAR1
SCHEMBL790745 0.74 MLYCD (0.52) MLYCDTRPV1NR1H3POLQGPBAR1
SCHEMBL790149 0.74 TRPV1 (0.50) MLYCDTRPV1POLQHSD17B10KDM4E
SCHEMBL791532 0.74 LMNA (0.58) KDM4EKMT2AGAANPC1RAB9A

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 MLYCD 2218/4885TRPV1 1012/4885NR1H3 216/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR MLYCD 654/4885TRPV1 2769/4885NR1H3 4005/4885

“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.

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