Sugi Predict

Sugi Predict / Compounds / SCHEMBL3365567

SCHEMBL3365567

SCHEMBL3365567

c1ccc(Sc2ccc(-c3cc[nH]n3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.37
▸ MAOB P27338 3/20 0.37
▸ CYP1A2 P05177 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CHRNA7 P36544 1/20 0.34
▸ PTGIR P43119 1/20 0.34
▸ CTRC Q99895 1/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ KDR P35968 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ RAB9A P51151 2/20 0.32

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
SCHEMBL3364919 0.84 CYP1A2 (0.42) CYP1A2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16800868 0.82 CYP1A2 (0.45) CYP1A2ALDH1A1MEN1KMT2AIDO1
SCHEMBL9438 0.82 CYP1A2 (0.48) CYP1A2ALDH1A1HPGDMEN1KMT2A
Phosphine SCHEMBL28114703 0.80 CYP1A2 (0.47) CYP1A2ALDH1A1HPGDMEN1KMT2A
SCHEMBL30636164 0.80 CYP1A2 (0.47) CYP1A2ALDH1A1HPGDMEN1KMT2A
SCHEMBL28309054 0.80 CYP1A2 (0.47) CYP1A2ALDH1A1HPGDMEN1KMT2A
SCHEMBL842040 0.80 CYP1A2 (0.47) CYP1A2ALDH1A1HPGDMEN1KMT2A
SCHEMBL31519384 0.80 CYP1A2 (0.47) CYP1A2ALDH1A1HPGDMEN1KMT2A
Ammonia Solution, Strong SCHEMBL29843017 0.80 CYP1A2 (0.47) CYP1A2ALDH1A1HPGDMEN1KMT2A
SCHEMBL514705 0.80 CYP1A2 (0.47) CYP1A2ALDH1A1HPGDMEN1KMT2A

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 MAOA 2397/4885MAOB 2251/4885CYP1A2 1244/4885

“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.