SCHEMBL5544376

SCHEMBL5544376

Cc1cc(C)cc(OCC(=O)Nc2nccn2C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ POLB P06746 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ RECQL P46063 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ PTK2B Q14289 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46

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
SCHEMBL14263852 0.75 FDPS (0.46) KMT2APOLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL5549522 0.74 MAPT (0.53) KMT2APOLBMEN1RECQLHSD17B10
SCHEMBL5450261 0.71 NPC1 (0.67) KMT2APOLBMEN1RECQLHSD17B10
SCHEMBL8971670 0.71 ALDH1A1 (0.44) KMT2APOLBHSD17B10SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8971417 0.70 ALDH1A1 (0.43) KMT2APOLBHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL5549904 0.69 KMT2A (0.54) KMT2APOLBMEN1RECQLHSD17B10
SCHEMBL10353735 0.69 FDPS (0.50) POLBSMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL5548957 0.69 MAPK1 (0.69) KMT2APOLBMEN1RECQLHSD17B10
SCHEMBL5546010 0.69 NPC1 (0.71) KMT2APOLBMEN1RECQLHSD17B10
SCHEMBL8971608 0.68 TMIGD3 (0.52) KMT2AMEN1SMN1; SMN2HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1785134-A2 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging ALTEON, INC. (US) 2007-05-16 — — EP disclosed
US-20060014781-A1 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging SYNVISTA THERAPEUTICS, INC. 2006-01-19 — — US disclosed
US-6960605-B2 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging ALTEON, INC. (US) 2005-11-01 — — US disclosed
EP-1248615-A4 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON INC (US) 2004-08-04 — — EP disclosed
EP-1248615-A1 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING Alteon, Inc. (US) 2002-10-16 — — EP disclosed
US-20020022622-A1 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging SYNVISTA THERAPEUTICS, INC. 2002-02-21 — — US disclosed
WO-2001052847-A1 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON, INC. (US) 2001-07-26 — — 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 (2 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-20020022622-A1 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging ABAT, NDUFAB1, HSPE1 KMT2A 3980/4885POLB 1761/4885MEN1 2110/4885
US-20060014781-A1 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging ABAT, HSPE1, TXN2 KMT2A 3877/4885POLB 1717/4885MEN1 3229/4885

“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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