SCHEMBL25489239

SCHEMBL25489239

C=C/C=C\C(=C/C)Nc1ccc(C(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ BCAT2 O15382 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ KLKB1 P03952 1/20 0.39

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
SCHEMBL19057796 0.78 TGM2 (0.44) KDM4EALDH1A1SMN1; SMN2HSD17B10KMT2A
SCHEMBL18456642 0.77 CA2 (0.42) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL21594549 0.76 MAPT (0.46) ALDH1A1L3MBTL1SMN1; SMN2MAPK1HSD17B10
SCHEMBL23315095 0.76 TGM2 (0.31) —
SCHEMBL21504863 0.76 SMN1; SMN2 (0.46) KDM4EALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL6357758 0.73 TGM2 (0.61) KDM4EALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL5422673 0.72 ALDH1A1 (0.58) KDM4EALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL20924285 0.71 NPSR1 (0.40) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL19403907 0.71 SMN1; SMN2 (0.47) KDM4EALDH1A1L3MBTL1SMN1; SMN2HSD17B10
SCHEMBL2906442 0.70 SMN1; SMN2 (0.61) KDM4EALDH1A1L3MBTL1SMN1; SMN2MAPK1

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-20230150953-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-05-18 — — 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-20230150953-A1 SUBSTITUTED ISOPHTHALIC ACID DIAMIDES DDT, ZDHHC2, DDAH1 KDM4E 3723/4885ALDH1A1 179/4885L3MBTL1 1376/4885

“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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