SCHEMBL4309877

SCHEMBL4309877

NC(=O)OC(COc1ccc(Cl)c(Cl)c1)Cn1nccn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
KMO O15229 2/20 0.36
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MEN1 O00255 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
CYP19A1 P11511 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 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
SCHEMBL4310465 0.86 CYP1A2 (0.49) ALDH1A1LMNACYP1A2KMT2AMEN1
SCHEMBL4314433 0.86 POLB (0.35) ALDH1A1KDM4ELMNASMN1; SMN2POLB
SCHEMBL4309847 0.80 CYP1A2 (0.44) LMNASMN1; SMN2CYP1A2MRGPRX4GAA
SCHEMBL4312614 0.80 KMT2A (0.43) ALDH1A1KDM4ESMN1; SMN2POLBCYP1A2
SCHEMBL13667414 0.75 TNF (0.38) ALDH1A1LMNASMN1; SMN2KMO
SCHEMBL4309855 0.75 TNF (0.38) ALDH1A1LMNASMN1; SMN2KMO
SCHEMBL13667427 0.75 TNF (0.38) ALDH1A1LMNASMN1; SMN2KMO
SCHEMBL4316050 0.73 SPR (0.45) KMT2AMEN1PPARGPPARA
SCHEMBL4304641 0.73 CYP1A2 (0.45) LMNAPOLBCYP1A2CYP19A1MAPK1
SCHEMBL4960716 0.72 HCRTR1 (0.46) ALDH1A1KDM4ESMN1; SMN2POLBHRH3

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 7 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
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 ALDH1A1 1039/4885KDM4E 670/4885LMNA 2467/4885

“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.