SCHEMBL31742472

SCHEMBL31742472

O=C(O)CNc1ccc(F)c(Br)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 11/20 0.39
▸ TDO2 P48775 1/20 0.38
▸ HSD17B14 Q9BPX1 1/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ CDC25A P30304 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33

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
SCHEMBL31742485 0.83 CA12 (0.37) PTGER2TDO2MAP4K4PTGS2PLAU
SCHEMBL20265671 0.77 KMT2A (0.40) —
SCHEMBL31742489 0.72 ALDH1A1 (0.43) PTGER2CCNT1PTGS2
SCHEMBL31555035 0.70 PKM (0.44) —
SCHEMBL29971093 0.70 CYP17A1 (0.39) —
SCHEMBL15091115 0.70 CYP17A1 (0.39) —
SCHEMBL23321251 0.69 TSHR (0.59) MAP4K4
SCHEMBL360661 0.69 TDO2 (0.58) TDO2MAP4K4CCNT1
SCHEMBL21722587 0.69 NCF1 (0.42) —
SCHEMBL20265503 0.69 ALDH1A1 (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250374926-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE IN CROP PROTECTION FORTEPHEST LTD. (IL) 2025-12-11 — — 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 (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-20250374926-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE IN CROP PROTECTION DDT, ABAT, CNDP2 PTGER2 4593/4885TDO2 299/4885HSD17B14 2918/4885

“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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