SCHEMBL4298608

SCHEMBL4298608

CCOC(=O)c1c(NC(C)=O)sc2c(OC)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 1.00
▸ CYP1A2 P05177 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ MAPT P10636 6/20 0.74
▸ LMNA P02545 1/20 0.74
▸ ALOX12 P18054 1/20 0.74
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ TSHR P16473 3/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.53
▸ RECQL P46063 1/20 0.53
▸ MCL1 Q07820 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ NTSR1 P30989 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MITF O75030 1/20 0.48
▸ PRKCZ Q05513 1/20 0.47

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
SCHEMBL16521104 0.89 KDM4E (0.81) KDM4ECYP1A2CYP3A4CYP2C9MAPT
SCHEMBL16521105 0.85 MAPT (0.78) KDM4ECYP1A2CYP3A4CYP2C9MAPT
SCHEMBL2921771 0.85 MAPT (1.00) KDM4ECYP1A2CYP3A4CYP2C9MAPT
SCHEMBL31459968 0.85 MAPT (1.00) KDM4ECYP1A2CYP3A4CYP2C9MAPT
SCHEMBL5165684 0.79 MAPT (0.67) KDM4ECYP1A2CYP3A4CYP2C9MAPT
SCHEMBL15172955 0.76 KMT2A (1.00) KDM4ECYP1A2CYP3A4CYP2C9MAPT
SCHEMBL31459864 0.76 KMT2A (1.00) KDM4ECYP1A2CYP3A4CYP2C9MAPT
SCHEMBL31459976 0.76 MAPT (0.75) KDM4ECYP1A2CYP3A4CYP2C9MAPT
SCHEMBL24683234 0.74 KDM4E (0.59) KDM4ECYP1A2CYP3A4CYP2C9MAPT
SCHEMBL30701675 0.74 KDM4E (0.59) KDM4ECYP1A2CYP3A4CYP2C9MAPT

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-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 — — US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 — — US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 — — US disclosed
EP-2009011-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-12-31 — — 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-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TNNC1, CPT1B, TNNI3 KDM4E 1496/4885CYP1A2 1448/4885CYP3A4 2151/4885

“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.

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