SCHEMBL3000567

SCHEMBL3000567

O=C(CBr)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
ALDH1A1 P00352 6/20 0.55
MAPT P10636 3/20 0.55
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
PLCG1 P19174 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
CNR2 P34972 1/20 0.47
RECQL P46063 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL30038413 1.00 ACHE (0.56) ACHEALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL31504049 0.88 ACHE (0.54) ACHEALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL25037396 0.86 ACHE (0.57) ACHEALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8288255 0.85 ACHE (0.56) ACHEALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL25037229 0.85 ACHE (0.56) ACHEALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL9824604 0.84 ALDH1A1 (0.59) ACHEALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL25037231 0.83 KIF11 (0.51) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL17026998 0.83 MEN1 (0.51) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL25036878 0.83 MEN1 (0.50) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL6780501 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024155884-A1 HETEROCYCLIC COMPOUNDS AS WRN INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2024-07-25 WO disclosed
WO-2024153244-A1 NITROGEN-CONTAINING COMPOUND 南京再明医药有限公司 2024-07-25 WO disclosed
CN-117425657-A Triazolo-pyrimidine analogs for the treatment of diseases associated with inhibition of Wonna syndrome RECzochralski enzyme (WRN) 诺华股份有限公司 2024-01-19 CN disclosed
US-20230046859-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2023-02-16 US disclosed
US-20100184770-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-07-22 US disclosed
EP-2091538-B1 4-BENZYL-1(2H)-PHTHALAZINONES AS H1 RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2010-03-03 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 (2 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-20100184770-A1 COMPOUNDS CMA1, TSLP, IL5 ACHE 1825/4885ALDH1A1 516/4885MAPT 1356/4885
US-20230046859-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 ACHE 2983/4885ALDH1A1 2542/4885MAPT 2519/4885

“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.