SCHEMBL5209211

SCHEMBL5209211

COC(=O)CCc1oc(-c2ccc3c(c2)OCO3)nc1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
ALOX12 P18054 2/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CFTR P13569 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CNR1 P21554 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL5214841 0.88 TP53 (0.49) MAPTTP53KDM4EHPGDTSHR
SCHEMBL5211457 0.87 NPC1 (0.47) MAPTTP53KDM4EHPGDTSHR
SCHEMBL5207499 0.82 CCNC (0.48) MAPTTP53KDM4ELMNAKMT2A
SCHEMBL5211537 0.82 RXRA (0.47) MAPTKDM4EHTTLMNAPOLB
SCHEMBL5209458 0.81 LMNA (0.44) MAPTTP53KDM4ETSHRHSD17B10
SCHEMBL5212252 0.81 MAPT (0.47) MAPTTP53KDM4EHPGDHSD17B10
SCHEMBL5208944 0.78 HDAC1 (0.42) MAPTTP53TSHRLMNAMAPK1
SCHEMBL1362553 0.78 CYP11B1 (0.43) MAPTKDM4ELMNAKMT2AGAA
SCHEMBL10833120 0.77 ALDH1A1 (0.43) MAPTKDM4ETSHRHSD17B10LMNA
SCHEMBL5208936 0.77 MAPT (0.40) MAPTTP53KDM4ETSHRHTT

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 4375/4885KDM4E 2428/4885

“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.