SCHEMBL6800145

SCHEMBL6800145

Cc1nc(N(C)CCO)sc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX5 P09917 2/20 0.41
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
XIAP P98170 1/20 0.39

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
SCHEMBL6805682 0.79 HTR7 (0.51) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL2632547 0.79 ALDH1A1 (0.51) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL8716770 0.74 ALDH1A1 (0.43) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL6805554 0.74 NOS1 (0.34) ALDH1A1MAPTKDM4E
SCHEMBL6806605 0.73 PPARG (0.46) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL6806370 0.72 RAB9A (0.56) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL5820208 0.71 NPC1 (0.52) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL6800972 0.69 ALDH1A1 (0.54) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL92933 0.68 ALOX5 (0.66) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL11916723 0.68 KMT2A (0.41) ALDH1A1RAB9AMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686475-B2 THIAZOLIDINEDIONE DERIVATIVES HAVING HYPOGLYCAEMIC AND HYPOLIPIDAEMIC ACTIVITIES BEECHAM GROUP P.L.C. (GB) 2004-02-03 US disclosed
US-20030149054-A1 Administering thiazolidinedione derivatives for therapy and prophylaxis of cardiovascular diseases or eating disorders in a human or non- human mammal BEECHAM GROUP P.L.C. 2003-08-07 US disclosed
US-20020049240-A1 NOVEL COMPOUNDS BEECHAM GROUP P.1.C. 2002-04-25 US disclosed
US-6288095-B1 ADMINISTERING 5-(4-(2-(N-METHYL-N-(2-PYRIDYL)AMINO)ETHOXY) BENZYL)-2,4-THIAZOLIDINEDIONE TO MAMMALS AS AN ANTIDIABETIC BEECHAM GROUP P.L.C. (GB) 2001-09-11 US disclosed
EP-0306228-B1 Substituted thiazolidinedione derivatives BEECHAM GROUP PLC (GB) 1999-11-17 EP disclosed
EP-0842925-A1 Substituted thiazolidinedione derivatives BEECHAM GROUP PLC (GB) 1998-05-20 EP disclosed
US-5646169-A ADMINISTERING SUBSTITUTED THIAZOLIDINEDIONE DERIVATIVES TO HUMANS OR OTHER MAMMALS BEECHAM GROUP P.L.C. (GB) 1997-07-08 US disclosed
US-5521201-A SUBSTITUTED-THIAZOLIDINEDIONE DERIVATIVES BEECHAM GROUP P.L.C. 1996-05-28 US disclosed
US-5260445-A Hypoglycemic BEECHAM GROUP P.L.C. (GB) 1993-11-09 US disclosed
US-5232925-A Treating hypertension BEECHAM GROUP P.L.C. (GB) 1993-08-03 US disclosed
US-5194443-A Thiazolinediones, Hypoglycemic Agents, Antilipemic Agents BEECHAM GROUP P.L.C. (GB) 1993-03-16 US disclosed
US-5002953-A Substituted Thiazolidinedione Derivatives BEECHAM GROUP P.L.C. (GB) 1991-03-26 US disclosed
EP-0306228-A1 Substituted thiazolidinedione derivatives BEECHAM GROUP PLC (GB) 1989-03-08 EP 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-20030149054-A1 Administering thiazolidinedione derivatives for therapy and prophylaxis of cardiovascular diseases or eating disorders in a human or non- human mammal TYK2, FABP3, FABP4 ALDH1A1 1150/4885RAB9A 3737/4885MEN1 1720/4885
US-20020049240-A1 NOVEL COMPOUNDS GRK1, GRK3, GRK7 ALDH1A1 1255/4885RAB9A 2043/4885MEN1 1461/4885

“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.