SCHEMBL220305

SCHEMBL220305

CC(=O)Nc1c[c]ccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 4/20 0.40
POLB P06746 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
EPHX1 P07099 1/20 0.40
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
MAPK1 P28482 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
SCHEMBL6205970 0.86 ALDH1A1 (0.55) ALDH1A1HPGDTDP1NPC1POLB
SCHEMBL5831442 0.86 ALDH1A1 (0.44) ALDH1A1HPGDTDP1NPC1POLB
SCHEMBL1545001 0.82 POLB (0.47) ALDH1A1HPGDTDP1NPC1POLB
SCHEMBL10962786 0.81 HPGD (0.50) ALDH1A1HPGDNPC1RAB9AKMT2A
SCHEMBL2894903 0.81 ALDH1A1 (0.46) ALDH1A1HPGDNPC1POLBRAB9A
SCHEMBL28048975 0.81 RXFP1 (0.46) ALDH1A1HPGDNPC1POLBRAB9A
SCHEMBL28048992 0.81 CA1 (0.41) ALDH1A1HPGDTDP1NPC1POLB
SCHEMBL10807629 0.81 HDAC1 (0.46) ALDH1A1HPGDNPC1POLBRAB9A
SCHEMBL2489381 0.81 HDAC1 (0.42) ALDH1A1HPGDNPC1POLBRAB9A
SCHEMBL2897575 0.80 LMNA (0.44) ALDH1A1HPGDNPC1POLBRAB9A

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 CN claimed
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US claimed
EP-1909910-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP claimed
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP claimed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US claimed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO claimed
EP-1294691-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2006-11-08 EP claimed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 US claimed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US claimed
US-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 US claimed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 US claimed
EP-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 EP claimed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US claimed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP claimed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 WO claimed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO claimed
WO-1999011633-A1 TRIAZINES WITH AN ADENOSINE ANTAGONISTIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-03-11 WO claimed
EP-0387201-B1 Mixture of dyestuffs and their use CIBA GEIGY AG (CH) 1994-02-02 EP claimed
US-5131919-A Trichromic dyeing or printing CIBA-GEIGY CORPORATION (US) 1992-07-21 US claimed
EP-0387201-A1 Mixture of dyestuffs and their use CIBA-GEIGY AG (CH) 1990-09-12 EP claimed

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-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 ALDH1A1 1913/4885HPGD 313/4885TDP1 1067/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 ALDH1A1 1335/4885HPGD 1054/4885TDP1 1617/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 ALDH1A1 1903/4885HPGD 1263/4885TDP1 858/4885

“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.