SCHEMBL21606761

SCHEMBL21606761

C#CCCC(=O)N[C@@H](C(=O)OC)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ TACR3 P29371 5/20 0.43
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 3/20 0.42
▸ GPR88 Q9GZN0 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ TACR2 P21452 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL21606763 1.00 KMT2A (0.47) KMT2AMEN1TACR3GAATSHR
SCHEMBL21606760 0.85 NAALAD2 (0.48) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL4771264 0.82 KMT2A (0.51) KMT2AMEN1TACR3GAATSHR
SCHEMBL23904062 0.81 KMT2A (0.50) KMT2AMEN1TACR3GAATSHR
SCHEMBL23904061 0.81 KMT2A (0.50) KMT2AMEN1TACR3GAATSHR
SCHEMBL31505903 0.80 GAA (0.50) KMT2AMEN1TACR3GAAALDH1A1
SCHEMBL19717757 0.79 KMT2A (0.54) KMT2AMEN1TACR3TSHRGPR88
SCHEMBL8999165 0.79 KMT2A (0.54) KMT2AMEN1TACR3TSHRGPR88
SCHEMBL21607030 0.79 TSHR (0.55) KMT2AMEN1TACR3TSHRGPR88
SCHEMBL21606800 0.79 TSHR (0.55) KMT2AMEN1TACR3TSHRGPR88

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-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-09-16 — — US disclosed
WO-2019243273-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIOBIOTIC PROPERTIES UNIVERSITÉ DE STRASBOURG (FR) 2019-12-26 — — 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-20210284668-A1 GOLD (I)-PHOSPHINE 1,2,3-TRIAZOLE DERIVATIVES WITH ANTIBIOTIC PROPERTIES PADI3, PADI1, PADI4 KMT2A 2645/4885MEN1 969/4885TACR3 884/4885

“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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