SCHEMBL790218

SCHEMBL790218

CCN(C(=O)c1cnc(Oc2ccc(C(F)(F)F)cc2)c(Cl)c1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.50
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GPBAR1 Q8TDU6 2/20 0.42
MLYCD O95822 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLQ O75417 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL791303 0.91 HTT (0.45) LIPELMNASMN1; SMN2HTTKMT2A
SCHEMBL790803 0.89 HTT (0.49) LIPELMNASMN1; SMN2HTTGPBAR1
SCHEMBL790794 0.88 LIPE (0.57) LIPELMNASMN1; SMN2KMT2AATM
SCHEMBL790992 0.85 HTT (0.45) LIPELMNASMN1; SMN2HTTMLYCD
SCHEMBL790798 0.84 ALDH1A1 (0.46) LIPELMNASMN1; SMN2HTTKMT2A
SCHEMBL790481 0.84 RAB9A (0.52) LIPELMNAHTTMLYCDRAB9A
SCHEMBL789940 0.78 LIPE (0.50) LIPESMN1; SMN2KMT2AATMGPBAR1
SCHEMBL15093062 0.77 HTT (0.49) LIPELMNAHTTALDH1A1GPBAR1
SCHEMBL790175 0.76 LIPE (0.53) LIPELMNASMN1; SMN2KMT2AGPBAR1
SCHEMBL791163 0.76 RAB9A (0.50) LIPEHTTALDH1A1CYP3A4CYP2C9

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 LIPE 4781/4885LMNA 1364/4885SMN1; SMN2 1928/4885

“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.