SCHEMBL31217749

SCHEMBL31217749

O=Nc1ccc([O-])c(=O)cc1.O=Nc1ccc([O-])c(=O)cc1.[Ca+2]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ TSHR P16473 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ TDP1 Q9NUW8 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ GMNN O75496 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL234461 0.72 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRMAPK1TP53
SCHEMBL1408568 0.69 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRMAPK1TP53
SCHEMBL9073535 0.69 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRMAPK1TP53
SCHEMBL11447692 0.68 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRMAPK1TP53
SCHEMBL27660168 0.67 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRMAPK1TP53
SCHEMBL107699 0.66 — —
SCHEMBL12263887 0.65 MGLL (0.68) ALDH1A1MAPK1TDP1HSP90AA1LMNA
SCHEMBL24385153 0.64 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRMAPK1TP53
SCHEMBL10887099 0.64 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRMAPK1TP53
SCHEMBL27251960 0.64 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRMAPK1TP53

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-20250145591-A1 INHIBITORS OF ADVANCED GLYCATION END PRODUCTS PRAETEGO INC 2025-05-08 — — US disclosed
US-20250101000-A1 INHIBITORS OF ADVANCED GLYCATION END PRODUCTS PRAETEGO INC (US) 2025-03-27 — — US disclosed
US-12139472-B2 Inhibitors of advanced glycation end products PRAETEGO INC (US) 2024-11-12 — — 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 (3 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-20250145591-A1 INHIBITORS OF ADVANCED GLYCATION END PRODUCTS AGER, GLA, GPR119 ALDH1A1 470/4885HSD17B10 3367/4885TSHR 1674/4885
US-20250101000-A1 INHIBITORS OF ADVANCED GLYCATION END PRODUCTS AGER, GLA, GPR119 ALDH1A1 470/4885HSD17B10 3367/4885TSHR 1674/4885
US-12139472-B2 Inhibitors of advanced glycation end products AGER, GLA, FN3K ALDH1A1 439/4885HSD17B10 3180/4885TSHR 4031/4885

“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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