SCHEMBL24892482

SCHEMBL24892482

Nc1ccc(Br)c(C#CCCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PGK1 P00558 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ TLR7 Q9NYK1 1/20 0.33
▸ ASIC3 Q9UHC3 1/20 0.33
▸ EGFR P00533 2/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ MAPK14 Q16539 1/20 0.30
▸ GABRP O00591 1/20 0.30
▸ GABRD O14764 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ GABRB1 P18505 1/20 0.30
▸ GABRG2 P18507 1/20 0.30

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
SCHEMBL29202467 0.82 KDM4E (0.41) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL12115806 0.77 ALDH1A1 (0.47) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL21114150 0.76 CYP3A4 (0.57) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL2797723 0.72 KDM4E (0.50) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL1310116 0.72 APP (0.50) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL24892479 0.71 KDM4E (0.39) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL22075510 0.70 PGK1 (0.38) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL1312083 0.70 ASIC3 (0.52) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL2180477 0.69 CYP3A4 (0.67) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL6791668 0.69 ALDH1A1 (0.41) KDM4EALDH1A1CYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-04-20 — — US disclosed
WO-2023287793-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-01-19 — — WO 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-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS PCK1, SLC5A1, PFKFB1 KDM4E 1568/4885ALDH1A1 345/4885CYP1A2 680/4885

“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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