SCHEMBL4304641

SCHEMBL4304641

NC(=O)OC(COc1ccc(Cl)cc1)Cn1ncnn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP19A1 P11511 1/20 0.39
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KCNH2 Q12809 2/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
LTA4H P09960 1/20 0.35
CACNA1G O43497 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4314433 0.88 POLB (0.35) CYP1A2POLBLMNA
SCHEMBL4310465 0.85 CYP1A2 (0.49) CYP1A2CYP19A1PPARGPPARAKCNH2
SCHEMBL4304481 0.84 POLB (0.35) POLBLMNATSHR
SCHEMBL4311700 0.82 POLB (0.43) CYP1A2POLBMAPK1TSHR
SCHEMBL4311966 0.80 CYP1A2 (0.46) CYP1A2CYP19A1PPARGPPARAKCNH2
SCHEMBL4959417 0.80 CYP1A2 (0.43) CYP1A2CYP19A1PPARGPPARAKCNH2
SCHEMBL4315990 0.79 CYP1A2 (0.45) CYP1A2CYP19A1PPARGPPARA
SCHEMBL4312862 0.78 CYP19A1 (0.41) CYP1A2CYP19A1POLBLTA4H
SCHEMBL13667373 0.78 CYP19A1 (0.41) CYP1A2CYP19A1POLBLTA4H
SCHEMBL13667375 0.78 CYP19A1 (0.41) CYP1A2CYP19A1POLBLTA4H

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
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

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 CYP1A2 266/4885CYP19A1 434/4885PPARG 995/4885

“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.