SCHEMBL2655896

SCHEMBL2655896

[CH]=CC(=O)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
CA2 P00918 1/20 0.39
CHKA P35790 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.37
ALOX5 P09917 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
SCHEMBL2655759 0.97
SCHEMBL2657029 0.78 CA2 (0.50) CA2CHKA
SCHEMBL1832185 0.78 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL1832187 0.78 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2ALOX5
SCHEMBL9079912 0.76 ALDH1A1 (0.50) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL1475208 0.76 ALDH1A1 (0.50) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL2655370 0.75 SMN1; SMN2 (0.48) ALDH1A1MMP1MMP3SMN1; SMN2
SCHEMBL9019564 0.75 FAAH (0.38) ALDH1A1HPGDSMN1; SMN2
SCHEMBL2655926 0.75 CYP1A2 (0.52) ALDH1A1HPGD
SCHEMBL9129373 0.75 CYP1A2 (0.52) ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007019397-A2 6-MEMBERED ARYL AND HETEROARYL DERIVATIVES FOR THE TREATMENT OF HEPATITIS C VIRUS GENELABS TECHNOLOGIES, INC. (US) 2007-02-15 WO claimed
US-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses GENELABS TECHNOLOGIES, INC. 2007-02-08 US claimed
US-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US disclosed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 US disclosed
EP-1678144-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX Akzo Nobel N.V. (NL) 2006-07-12 EP disclosed
WO-2005040131-A1 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX AKZO NOBEL N.V. (NL) 2005-05-06 WO disclosed
EP-0515420-B1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1996-06-12 EP disclosed
US-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 US 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-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB1, GABRA5, GABRB2 ALDH1A1 541/4885HPGD 2676/4885MMP1 4878/4885
US-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses HAVCR2, MAVS, EIF2AK2 ALDH1A1 1740/4885HPGD 4171/4885MMP1 4471/4885

“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.