SCHEMBL5209323

SCHEMBL5209323

COC(=O)CCc1oc(-c2cccs2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TP53 P04637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
PLEC Q15149 1/20 0.39
RPS6KB2 Q9UBS0 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL5213169 0.88 RXRA (0.49) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL5211453 0.87 ALDH1A1 (0.41) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL5211537 0.84 RXRA (0.47) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL1362553 0.83 CYP11B1 (0.43) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL5209458 0.81 LMNA (0.44) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL5212252 0.81 MAPT (0.47) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL5207499 0.81 CCNC (0.48) MAPTTP53KDM4EALDH1A1KMT2A
SCHEMBL6603521 0.81 CYP11B1 (0.41) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL5211691 0.80 RXRA (0.43) MAPTTP53KDM4EALDH1A1KMT2A
SCHEMBL10833120 0.79 ALDH1A1 (0.43) MAPTNPC1RAB9AKDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 MAPT 3958/4885TP53 4375/4885NPC1 3792/4885

“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.