SCHEMBL4940666

SCHEMBL4940666

O=[N+]([O-])c1ccc(-n2c(O)nnc2-c2ccc(O)cc2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.37

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
SCHEMBL4939190 0.87 MAPT (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4939682 0.80 ESR1 (0.48) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4938798 0.79 MAOA (0.39) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL4937107 0.77 KMT2A (0.46) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4941283 0.76 HSP90AA1 (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4933212 0.73 ESR1 (0.50) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL6068096 0.72 LMNA (0.56) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4940434 0.71 ACHE (0.41) KMT2AMEN1POLBGAANPC1
SCHEMBL4935303 0.71 RAB9A (0.53) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4933396 0.70 ESR1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182857-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-07-31 US claimed
EP-1853570-A2 HSP90-INHIBITING TRIAZOLE DERIVATIVES Merck Patent GmbH (DE) 2007-11-14 EP claimed
WO-2006087077-A2 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2006-08-24 WO claimed
US-8618285-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2013-12-31 US disclosed
EP-1853570-B1 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-24 EP disclosed
US-20080182857-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-07-31 US disclosed
EP-1853570-A2 HSP90-INHIBITING TRIAZOLE DERIVATIVES Merck Patent GmbH (DE) 2007-11-14 EP disclosed
WO-2006087077-A2 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2006-08-24 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-20080182857-A1 Triazole Derivatives HSP90AB1, HSP90AA1, HSP90B1 MAPT 2318/4885KMT2A 4070/4885MEN1 4447/4885

“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.