SCHEMBL5209850

SCHEMBL5209850

COC(=O)CCc1oc(-c2cccc3ccccc23)nc1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.41
GLA P06280 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
VDR P11473 1/20 0.41
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL5206931 0.87 RXRA (0.51) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL5211691 0.87 RXRA (0.43) KDM4EALDH1A1MAPTTP53VDR
SCHEMBL5211537 0.85 RXRA (0.47) KDM4EALDH1A1GAAMAPTVDR
SCHEMBL5214817 0.84 KDM4E (0.40) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL5207499 0.83 CCNC (0.48) KDM4EALDH1A1GAAMAPTTP53
SCHEMBL5212479 0.81 MAP2K4 (0.43) KDM4EALDH1A1GAAHPGDRAB9A
SCHEMBL5209458 0.80 LMNA (0.44) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL5212252 0.80 MAPT (0.47) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL5209323 0.79 MAPT (0.41) KDM4EALDH1A1L3MBTL1GAAHPGD
SCHEMBL1362553 0.79 CYP11B1 (0.43) KDM4EALDH1A1L3MBTL1GAAMAPT

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 KDM4E 2428/4885ALDH1A1 1651/4885L3MBTL1 3447/4885

“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.