SCHEMBL29693174

SCHEMBL29693174

[2H]C([2H])([2H])Oc1nc(C(=O)OCC)c(F)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
DHODH Q02127 3/20 0.37
TARBP2 Q15633 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GAA P10253 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
PTPN2 P17706 2/20 0.36
ELANE P08246 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL31107210 1.00 ALDH1A1 (0.40) ALDH1A1CYP1A2DHODHTARBP2NPSR1
SCHEMBL29693104 0.82 HSD17B10 (0.34) DHODHRAB9ALMNAHSD17B10
SCHEMBL24558259 0.81 TARBP2 (0.39) ALDH1A1CYP1A2DHODHTARBP2PTPN2
SCHEMBL31107271 0.79 TARBP2 (0.41) ALDH1A1CYP1A2TARBP2NPSR1TRPM8
SCHEMBL17362538 0.69 TARBP2 (0.42) ALDH1A1TARBP2NPSR1MAPTNPC1
SCHEMBL20301674 0.68 CFTR (0.44) ALDH1A1CYP1A2DHODHTARBP2MAPT
SCHEMBL27373109 0.68 PTGS2 (0.38) ALDH1A1DHODHNPSR1TRPM8MAPT
SCHEMBL1819905 0.67 TSHR (0.48) ALDH1A1NPSR1MAPTRXFP1TSHR
SCHEMBL31728508 0.67 KDM4E (0.40) ALDH1A1CYP1A2NPSR1MAPTPOLB
SCHEMBL30200423 0.67 TARBP2 (0.46) ALDH1A1CYP1A2TARBP2NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410187-B2 Fused tricyclic compounds useful as anticancer agents ASTRAZENECA AB (SE) 2025-09-09 US disclosed
EP-3935060-B1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2023-11-15 EP disclosed
US-20220204527-A1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS ASTRAZENECA UK LIMITED (GB) 2022-06-30 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 (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-12410187-B2 Fused tricyclic compounds useful as anticancer agents MCL1, TP53, CCNA2 ALDH1A1 917/4885CYP1A2 464/4885DHODH 300/4885
US-20220204527-A1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS MCL1, TP53, CCNA2 ALDH1A1 917/4885CYP1A2 464/4885DHODH 300/4885

“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.