SCHEMBL4313100

SCHEMBL4313100

NC(=O)OC(Cn1cnnn1)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.38
CYP3A4 P08684 6/20 0.38
LMNA P02545 5/20 0.38
CYP1A2 P05177 4/20 0.37
CYP2D6 P10635 4/20 0.37
CYP2C19 P33261 4/20 0.37
IDO1 P14902 3/20 0.37
MEN1 O00255 3/20 0.37
TSHR P16473 3/20 0.37
KMT2A Q03164 3/20 0.37
ALOX15 P16050 2/20 0.37
NR1I2 O75469 2/20 0.37
EGFR P00533 2/20 0.37
NR3C1 P04150 2/20 0.37
ERBB2 P04626 2/20 0.37
CYP17A1 P05093 2/20 0.37
FYN P06241 2/20 0.37
PGR P06401 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37

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
SCHEMBL4313237 0.91 MAPK1 (0.39) CYP2C9CYP3A4LMNACYP1A2CYP2D6
SCHEMBL13667364 0.86 AVPR2 (0.40) MEN1TSHRKMT2AALDH1A1TP53
SCHEMBL4310318 0.86 AVPR2 (0.40) MEN1TSHRKMT2AALDH1A1TP53
SCHEMBL13667365 0.86 AVPR2 (0.40) MEN1TSHRKMT2AALDH1A1TP53
SCHEMBL13667452 0.84 CYP2C9 (0.41) CYP2C9CYP3A4LMNACYP1A2CYP2D6
SCHEMBL4321666 0.84 CYP2C9 (0.41) CYP2C9CYP3A4LMNACYP1A2CYP2D6
SCHEMBL13667426 0.80 MAPK1 (0.45) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL13667446 0.80 MEN1 (0.37) LMNAMEN1TSHRKMT2ATDP1
SCHEMBL13667447 0.80 MEN1 (0.37) LMNAMEN1TSHRKMT2ATDP1
SCHEMBL13667440 0.79 POLB (0.37) CYP2C9CYP3A4LMNACYP1A2CYP2D6

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 5 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
US-20060258718-A1 Neurotherapeutic azole compounds SK BIOPHARMACEUTICALS CO., LTD. (KR) 2006-11-16 US 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 CYP2C9 145/4885CYP3A4 121/4885LMNA 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.