SCHEMBL3370342

SCHEMBL3370342

CSc1cc(-c2ccc(Oc3ccccc3)cc2)nn1C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
F2 P00734 5/20 0.45
HPGD P15428 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.45
SCN4A P35499 1/20 0.44
GAA P10253 1/20 0.44
KLK7 P49862 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KLK14 Q9P0G3 1/20 0.44
KLK5 Q9Y337 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MCL1 Q07820 5/20 0.43
MGLL Q99685 3/20 0.41
ELANE P08246 2/20 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
SCHEMBL1225270 0.92 KMT2A (0.50) KMT2AF2HPGDCYP1A2CYP2C9
SCHEMBL3367196 0.86 SCN4A (0.54) ALDH1A1SCN4ARAB9AMCL1MGLL
SCHEMBL3552650 0.84 MAPT (0.45) KMT2AF2HPGDMAPTALDH1A1
SCHEMBL3365486 0.82 SMN1; SMN2 (0.42) KMT2AHPGDMAPTALDH1A1SCN4A
SCHEMBL3367014 0.78 MAPT (0.47) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3367401 0.68 SCN4A (0.52) ALDH1A1SCN4ARAB9AMCL1MGLL
SCHEMBL2551230 0.67 KLK3 (0.52) KMT2AF2HPGDCYP1A2CYP2C9
SCHEMBL3366375 0.67 SCN4A (0.54) SCN4ARAB9AMCL1
SCHEMBL3366376 0.67 SCN4A (0.54) ALDH1A1SCN4ARAB9AMCL1MGLL
SCHEMBL7190880 0.65 SCN4A (0.55) KMT2AHPGDMAPTALDH1A1SCN4A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266960-B1 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO CELTIQUE SA (LU) 2014-01-22 EP disclosed
EP-2266960-A2 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO-CELTIQUE S.A. (LU) 2010-12-29 EP disclosed
EP-1173169-B1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-05-12 EP disclosed
US-6737418-B2 CENTRAL NERVOUS SYSTEM DISORDERS; ANTICONVULSANTS EURO-CELTIQUE S.A. (LU) 2004-05-18 US disclosed
US-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof EURO-CELTIQUE S.A. 2003-04-10 US disclosed
US-6414011-B1 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2002-07-02 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 (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-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof GRIK5, GRIN3A, GRIK3 KMT2A 4141/4885F2 3460/4885HPGD 1751/4885

“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.