SCHEMBL6624875

SCHEMBL6624875

O=C(O)CCc1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
EGFR P00533 1/20 0.66
SRC P12931 1/20 0.66
PPARG P37231 2/20 0.65
CNR1 P21554 1/20 0.60
HTR2A P28223 2/20 0.59
HTR2C P28335 2/20 0.59

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
SCHEMBL7242795 0.91 EGFR (0.68) KDM4EALDH1A1EGFRSRCPPARG
SCHEMBL22118464 0.90 EGFR (0.62) KDM4EALDH1A1EGFRSRCPPARG
SCHEMBL31006372 0.90 EGFR (0.62) KDM4EALDH1A1EGFRSRCPPARG
Phenylhydrazine SCHEMBL8218750 0.88 KDM4E (0.54) KDM4EALDH1A1EGFRSRCPPARG
SCHEMBL22118419 0.86 HTR2A (0.60) KDM4EALDH1A1EGFRSRCPPARG
SCHEMBL31006391 0.86 HTR2A (0.60) KDM4EALDH1A1EGFRSRCPPARG
SCHEMBL22769576 0.85 CNR1 (0.55) EGFRSRCCNR1HTR2AHTR2C
SCHEMBL5211637 0.85 ALDH1A1 (0.68) KDM4EALDH1A1EGFRPPARGCNR1
SCHEMBL6625732 0.84 GPR17 (0.66) KDM4EALDH1A1EGFRSRCPPARG
SCHEMBL22160189 0.84 GPR17 (0.57) KDM4EALDH1A1EGFRSRCPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-08-31 US disclosed
US-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-08-31 US disclosed
US-11618746-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-04 US disclosed
US-20200377479-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmacéuticals Incorporated 2020-12-03 US disclosed
CN-1613012-A Soluble cd40l (cd154) as a prognostic marker of atherosclerotic diseases BRIGHAM & WOMENS HOSPITAL (US) 2005-05-04 CN disclosed
EP-0858996-B1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARM CO LTD (JP) 2004-10-27 EP disclosed
EP-0858996-A1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed
US-4522808-A Anti-sunburn compositions containing 2-phenyl-indole derivatives SOCIETE ANONYME DITE: L'OREAL (FR) 1985-06-11 US 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 (3 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-20230271945-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, SAAL1 KDM4E 4311/4885ALDH1A1 3319/4885EGFR 935/4885
US-11618746-B2 Inhibitors of APOL1 and methods of using same APOL1, APOB, NPC1L1 KDM4E 4249/4885ALDH1A1 3269/4885EGFR 1584/4885
US-20200377479-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, SAAL1, LOXL1 KDM4E 4380/4885ALDH1A1 1956/4885EGFR 1955/4885

“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.