SCHEMBL1612258

SCHEMBL1612258

ON=C(Cl)c1ccc(-n2cncn2)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
S1PR3 Q99500 2/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL1612257 1.00 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL1613624 0.83 S1PR3 (0.47) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL1613623 0.83 S1PR3 (0.47) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL1611874 0.80 S1PR3 (0.39) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL1611876 0.80 S1PR3 (0.39) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL4459474 0.76 SMN1; SMN2 (0.49) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL1609796 0.75 ALDH1A1 (0.41) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL1609795 0.75 ALDH1A1 (0.41) CYP1A2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL2045441 0.74 CYP2A6 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL17295794 0.74 CRHBP (0.47) ALDH1A1KMT2AMEN1RAB9ARXFP1

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-2069338-B1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2012-11-28 EP disclosed
EP-2332937-A1 Insecticidal isoxazolines Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-2330106-A1 Insecticidal isoxazolines Bayer CropScience AG (DE) 2011-06-08 EP disclosed
US-20110086886-A2 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2011-04-14 US disclosed
US-20100249191-A1 N-Methyl benzamide derivatives BAYER CROPSCIENCE SA (FR) 2010-09-30 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-20110086886-A2 INSECTICIDAL ISOXAZOLINES HAX1, INA, CYCS CYP1A2 88/4885CYP2C9 579/4885CYP2C19 1455/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA CYP1A2 219/4885CYP2C9 974/4885CYP2C19 1683/4885

“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.