SCHEMBL5402803

SCHEMBL5402803

COC(=O)CCc1oc(Cl)nc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 2/20 0.43
RPS6KB2 Q9UBS0 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NR4A2 P43354 4/20 0.41
FAAH O00519 1/20 0.41
RXRA P19793 8/20 0.41
RXRB P28702 7/20 0.41
RXRG P48443 5/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 2/20 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
SCHEMBL1362553 0.90 CYP11B1 (0.43) KDM4EKMT2AMEN1CYP3A4CYP2C19
SCHEMBL5213765 0.88 RXRA (0.46) KDM4EKMT2AMEN1RPS6KB2NR4A2
SCHEMBL5215345 0.87 KDM4E (0.47) KDM4EKMT2AMEN1CYP3A4CYP2C19
SCHEMBL5208765 0.87 MAPT (0.51) KDM4EKMT2AMEN1HPGDGAA
SCHEMBL5212455 0.87 CYP11B1 (0.43) KMT2AMEN1GAARPS6KB2MAPT
SCHEMBL5211537 0.84 RXRA (0.47) KDM4EKMT2AMEN1CYP3A4CYP2C19
SCHEMBL1362343 0.84 PTPN1 (0.40) KDM4EGAAMAPTLMNASMN1; SMN2
SCHEMBL1362051 0.84 MEN1 (0.46) KDM4EKMT2AMEN1HPGDRPS6KB2
SCHEMBL7461993 0.82 MAPT (0.40) KDM4EKMT2AMEN1CYP3A4CYP2C19
SCHEMBL5211706 0.79 RXRA (0.50) KMT2AMEN1RPS6KB2MAPTRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP disclosed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 KDM4E 1421/4885KMT2A 1788/4885MEN1 1753/4885

“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.