SCHEMBL790798

SCHEMBL790798

CCN(C(=O)c1cnc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LIPE Q05469 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL790803 0.89 HTT (0.49) HTTSMN1; SMN2MAPTLIPELMNA
SCHEMBL790846 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL791303 0.84 HTT (0.45) HTTSMN1; SMN2KMT2ALIPELMNA
SCHEMBL790218 0.84 LIPE (0.50) ALDH1A1HTTSMN1; SMN2KMT2ALIPE
SCHEMBL790992 0.84 HTT (0.45) HTTSMN1; SMN2MAPTLIPELMNA
SCHEMBL791037 0.84 HTT (0.49) ALDH1A1HTTSMN1; SMN2MAPTMEN1
SCHEMBL15093415 0.76 CYP11B1 (0.64) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL790175 0.76 LIPE (0.53) SMN1; SMN2KMT2ALIPELMNACYP2C9
SCHEMBL789584 0.75 HTT (0.49) ALDH1A1HTTSMN1; SMN2MAPTMEN1
SCHEMBL791898 0.74 HTT (0.53) HTTSMN1; SMN2MAPTKMT2ALIPE

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 ALDH1A1 1153/4885HTT 1901/4885SMN1; 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.