SCHEMBL3367040

SCHEMBL3367040

O=C(Cn1nccc1-c1ccc(Oc2ccc(F)cc2)cc1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.53
GRIN2B Q13224 6/20 0.46
USP2 O75604 2/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL3368671 0.91 TSHR (0.46) FKBP1AGRIN2BNPC1RAB9AKMT2A
SCHEMBL3366604 0.88 POLB (0.45) FKBP1ANPC1RAB9AHTTALDH1A1
SCHEMBL1386652 0.80 BACE1 (0.48)
SCHEMBL1385459 0.80 BACE1 (0.46) KDM4E
SCHEMBL6497228 0.75 ALDH1A1 (0.55) GRIN2BUSP2NPC1RAB9AMEN1
SCHEMBL6490734 0.73 RAB9A (0.44) NPC1RAB9AMEN1KMT2AMITF
SCHEMBL1386524 0.73 SCN4A (0.42) ALDH1A1
SCHEMBL1384448 0.73 SCN4A (0.44) KDM4E
SCHEMBL6498110 0.72 HRH3 (0.44) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL3365074 0.71 SCN4A (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266960-A2 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO-CELTIQUE S.A. (LU) 2010-12-29 EP claimed
EP-1173169-B1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-05-12 EP claimed
US-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof EURO-CELTIQUE S.A. 2003-04-10 US claimed
US-6414011-B1 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2002-07-02 US claimed
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 FKBP1A 179/4885GRIN2B 131/4885USP2 4729/4885

“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.