SCHEMBL1006318

SCHEMBL1006318

[NH]C(=O)N1CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
F2 P00734 1/20 0.46
CA2 P00918 2/20 0.44
CHKA P35790 1/20 0.44
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
GAA P10253 1/20 0.39
HSD11B1 P28845 1/20 0.38

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
SCHEMBL302454 1.00
SCHEMBL302275 0.97
SCHEMBL826193 0.90
SCHEMBL8801482 0.83
SCHEMBL5367594 0.77 L3MBTL3 (0.58) ALDH1A1MEN1KMT2A
SCHEMBL5413547 0.75
SCHEMBL2450959 0.75 CA2 (0.56) CA2CHKAPOLBCA12CA1
SCHEMBL3948090 0.73 ALDH1A1 (0.93) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL3458615 0.73 ALDH1A1 (0.61) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL2323473 0.73 ALDH1A1 (0.93) ALDH1A1HPGDMMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US claimed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 US claimed
EP-1453516-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-09-08 EP claimed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 US claimed
WO-2003032994-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 WO claimed
US-20110118172-A1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2277900-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-26 EP disclosed
US-20080064679-A1 Water Soluble Cannabinoids ORGANIX INC. 2008-03-13 US disclosed
US-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
WO-2006012176-A1 WATER-SOLUBLE CANNABINOIDS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2006-02-02 WO disclosed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 US disclosed
EP-1453516-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-09-08 EP disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
US-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 US disclosed
EP-0581166-A1 Benzimidazoles, process for their preparation and their use as angiotensin-II antagonists Dr. Karl Thomae GmbH (DE) 1994-02-02 EP disclosed
EP-0560330-A2 Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-09-15 EP disclosed
EP-0556789-A2 Substituted biphenyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-08-25 EP disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 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 (4 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-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 ALDH1A1 753/4885HPGD 1447/4885MMP1 4836/4885
US-20110118172-A1 METASTIN DERIVATIVE AND USE THEREOF GNRHR, SHBG, INHA ALDH1A1 3515/4885HPGD 772/4885MMP1 905/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 ALDH1A1 681/4885HPGD 1362/4885MMP1 4760/4885
US-20080064679-A1 Water Soluble Cannabinoids CNR2, CNR1, FAAH ALDH1A1 4417/4885HPGD 907/4885MMP1 3068/4885

“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.