SCHEMBL4311966

SCHEMBL4311966

NC(=O)OC(COc1ccc(Cl)cc1)Cn1cnnn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 1/20 0.42
POLB P06746 3/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPT P10636 1/20 0.37
PDE9A O76083 1/20 0.36
KCNH2 Q12809 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL4315990 0.85 CYP1A2 (0.45) CYP1A2CYP19A1PPARGPPARAPDE9A
SCHEMBL4306661 0.82 CYP19A1 (0.48) CYP1A2CYP19A1CYP3A4MEN1KMT2A
SCHEMBL4308038 0.81 MEN1 (0.47) CYP1A2POLBTDP1MEN1KMT2A
SCHEMBL4304641 0.80 CYP1A2 (0.45) CYP1A2CYP19A1POLBPPARGPPARA
SCHEMBL4310465 0.79 CYP1A2 (0.49) CYP1A2CYP19A1PPARGPPARAMEN1
SCHEMBL4959417 0.76 CYP1A2 (0.43) CYP1A2CYP19A1POLBPPARGPPARA
SCHEMBL4314108 0.75 DRD4 (0.53) POLBMEN1KMT2A
SCHEMBL4309927 0.74 HMOX1 (0.47) MEN1KMT2A
SCHEMBL4964327 0.73 DRD4 (0.42) CYP19A1
SCHEMBL4313237 0.73 MAPK1 (0.39) CYP1A2POLBCYP3A4MEN1KMT2A

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 434/4885POLB 4187/4885

“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.