SCHEMBL5549522

SCHEMBL5549522

Cc1cc(C)cc(OCC(=O)Nc2nc3ccccc3n2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ TP53 P04637 2/20 0.53
▸ THRB P10828 2/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.52
▸ ADORA2A P29274 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ POLB P06746 1/20 0.48

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
SCHEMBL5549561 0.85 SMN1; SMN2 (0.65) MAPTSMN1; SMN2TP53THRBRXFP1
SCHEMBL4004290 0.75 RAB9A (0.62) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL7932793 0.75 RAB9A (0.62) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL3771751 0.74 RAB9A (0.74) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL5549567 0.74 MAPT (0.70) MAPTSMN1; SMN2THRBRXFP1NPC1
SCHEMBL5544376 0.74 KMT2A (0.56) MAPTSMN1; SMN2ADORA3ADORA2AADORA1
SCHEMBL4867130 0.73 RAB9A (0.59) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL14026235 0.72 NPC1 (0.49) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL2175321 0.72 RAB9A (0.69) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL19662758 0.70 RAB9A (0.75) MAPTSMN1; SMN2TP53NPC1RAB9A

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 MAPT 314/4885SMN1; SMN2 381/4885TP53 650/4885
US-20060014781-A1 Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging ABAT, HSPE1, TXN2 MAPT 136/4885SMN1; SMN2 459/4885TP53 413/4885

“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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