SCHEMBL2513072

SCHEMBL2513072

O=Cc1ccc(-n2cncn2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
PABPC1 P11940 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
IDO1 P14902 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2511102 0.82 HPGD (0.36) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL2511103 0.82 HPGD (0.36) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL192940 0.80 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL616961 0.72 CRHBP (0.47) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL1956908 0.72 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL30480716 0.72 CRHBP (0.47) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL29935616 0.72 CYP1A2 (0.47) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL30855444 0.72 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL1957022 0.72 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL19961719 0.71 MAPK1 (0.56) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1

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-2379544-B1 ISOXAZOLINES DERIVATIVES AND THEIR USE AS PESTICIDE NOVARTIS AG (CH) 2013-10-16 EP disclosed
US-8377942-B2 Isoxazolines derivatives and their use as pesticide NOVARTIS AG (CH) 2013-02-19 US disclosed
US-20110245274-A1 ISOXAZOLINES DERIVATIVES AND THEIR USE AS PESTICIDE NOVARTIS AG (CH) 2011-10-06 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 (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-20110245274-A1 ISOXAZOLINES DERIVATIVES AND THEIR USE AS PESTICIDE ACHE, PRDX5, VDAC3 ALDH1A1 1797/4885KDM4E 2481/4885SMN1; SMN2 2125/4885

“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.