SCHEMBL4569650

SCHEMBL4569650

C=CC(C(=O)c1ccccc1)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.50
CYP19A1 P11511 3/20 0.46
KDM4E B2RXH2 1/20 0.43
CYP24A1 Q07973 5/20 0.42
TBXAS1 P24557 1/20 0.42
CYP26A1 O43174 3/20 0.41
TBXA2R P21731 1/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G1B P04054 1/20 0.41
TP53 P04637 1/20 0.41
PGR P06401 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
IDO1 P14902 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL10857936 0.80 CYP19A1 (0.50) CYP17A1CYP19A1KDM4ECYP24A1CYP26A1
SCHEMBL10862203 0.80 CYP19A1 (0.50) CYP17A1CYP19A1KDM4ECYP24A1CYP26A1
SCHEMBL6898202 0.79 CYP17A1 (0.44) CYP17A1CYP19A1KDM4ETBXAS1CYP26A1
SCHEMBL9706448 0.78 KDM4E (0.55) CYP17A1CYP19A1KDM4ECYP26A1
SCHEMBL7241225 0.78 TBXA2R (0.54) CYP17A1CYP19A1KDM4ECYP24A1CYP26A1
SCHEMBL10612567 0.78 CYP19A1 (0.49) CYP17A1CYP19A1KDM4ECYP24A1CYP26A1
Bromide SCHEMBL11032120 0.78 CYP19A1 (0.49) CYP17A1CYP19A1KDM4ECYP24A1CYP26A1
Hydrochloric Acid SCHEMBL28870357 0.77 CYP17A1 (0.43) CYP17A1CYP19A1KDM4ETBXAS1CYP26A1
Bromide SCHEMBL28405764 0.77 CYP17A1 (0.43) CYP17A1CYP19A1KDM4ETBXAS1CYP26A1
Hydrochloric Acid SCHEMBL412293 0.77 TBXA2R (0.53) CYP17A1CYP19A1KDM4ECYP24A1CYP26A1

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-1879873-B1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2013-10-09 EP disclosed
US-7598279-B2 Neurotherapeutic azole compounds SK HOLDINGS CO., LTD. (KR) 2009-10-06 US disclosed
EP-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 US disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 WO disclosed
EP-0131302-B1 IMIDAZOLIUM SALTS, INTERMEDIATES THERETO AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1992-01-29 EP 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-20060258718-A1 Neurotherapeutic azole compounds CHRNA10, CHRNA4, CHRNA3 CYP17A1 551/4885CYP19A1 434/4885KDM4E 670/4885

“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.