SCHEMBL3370859

SCHEMBL3370859

O=S(=O)(c1ccccc1)c1ccc(-c2cc[nH]n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.48
▸ AKR1B1 P15121 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LOX P28300 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ GALR1 P47211 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37

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
Sulfamide SCHEMBL5230684 0.80 CYP1A2 (0.44) GAACA12CA1CA2CA9
SCHEMBL8471516 0.80 ALDH1A1 (0.40) HSD17B10CA12CA1CA2CA9
SCHEMBL16800868 0.79 CYP1A2 (0.45) KDM4ESMN1; SMN2CYP1A2ALDH1A1POLB
SCHEMBL9438 0.79 CYP1A2 (0.48) GAAHPGDSMN1; SMN2CYP1A2ALDH1A1
SCHEMBL1186565 0.79 CA2 (0.54) USP2HTTCA12CA1CA2
SCHEMBL8758860 0.79 PTGS2 (0.43) —
Ammonia Solution, Strong SCHEMBL29843017 0.77 CYP1A2 (0.47) GAAHPGDSMN1; SMN2CYP1A2ALDH1A1
SCHEMBL31519384 0.77 CYP1A2 (0.47) GAAHPGDSMN1; SMN2CYP1A2ALDH1A1
SCHEMBL30636164 0.77 CYP1A2 (0.47) GAAHPGDSMN1; SMN2CYP1A2ALDH1A1
SCHEMBL842040 0.77 CYP1A2 (0.47) GAAHPGDSMN1; SMN2CYP1A2ALDH1A1

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 HTR6 1183/4885AKR1B1 1085/4885HSD17B10 1610/4885

“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.

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