SCHEMBL3365189

SCHEMBL3365189

Fc1ccc(Oc2ccc(-c3ccnn3Cc3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
P2RX7 Q99572 1/20 0.47
NR3C2 P08235 1/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
NPBWR1 P48145 2/20 0.41
BACE1 P56817 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
CYP19A1 P11511 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL4825843 0.92 P2RX7 (0.54) P2RX7NR3C2ALDH1A1SMN1; SMN2CYP11B1
SCHEMBL14858072 0.81 P2RX7 (0.61) P2RX7ALDH1A1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL1386524 0.78 SCN4A (0.42) NR3C2ALDH1A1BACE1HDAC6CYP19A1
SCHEMBL5571293 0.77 SCN4A (0.41) ALDH1A1BACE1CYP19A1MGLLSCN9A
SCHEMBL3365019 0.75 NPC1 (0.51) ALDH1A1SMN1; SMN2BACE1KMT2A
SCHEMBL1386745 0.75 SCN4A (0.40) NR3C2BACE1CYP19A1MGLLSCN9A
SCHEMBL1386652 0.75 BACE1 (0.48) NR3C2BACE1SCN9ASCN4A
SCHEMBL1385459 0.75 BACE1 (0.46) NR3C2BACE1MGLLSCN9ASCN4A
SCHEMBL1384448 0.73 SCN4A (0.44) NR3C2BACE1SCN9ASCN4A
SCHEMBL3614208 0.73 CYP17A1 (0.46) P2RX7ALDH1A1SMN1; SMN2PRMT5WDR77

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 13 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
EP-1173169-A4 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2007-04-04 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
EP-1173169-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-01-23 EP disclosed
WO-2000057877-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-05 WO 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 PTGS1 267/4885PTGS2 1059/4885P2RX7 617/4885

“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.