SCHEMBL7072408

SCHEMBL7072408

N=C(N)Nc1ccc2[nH]c(C(=O)c3nc4ccc(C(=O)NCCc5cccc6ccccc56)cc4n3CCCO)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 7/20 0.37
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MTNR1A P48039 1/20 0.35
NOD1 Q9Y239 2/20 0.34
CYP2C19 P33261 1/20 0.34
CXCR4 P61073 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
F9 P00740 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL7072608 0.90 KLK5 (0.39) ACSS2TRPV1ALDH1A1HSD17B10MTNR1A
SCHEMBL7070421 0.89 ACSS2 (0.39) ACSS2TRPV1KDM4EALDH1A1HPGD
SCHEMBL7071922 0.88 NOD1 (0.37) ACSS2TRPV1KDM4EALDH1A1HPGD
SCHEMBL7069778 0.85 NOD1 (0.40) ACSS2HPGDNOD1F9
SCHEMBL7068356 0.84 ACSS2 (0.37) ACSS2TRPV1KDM4EALDH1A1HPGD
SCHEMBL7071907 0.84 NOD1 (0.38) ACSS2TRPV1MTNR1ANOD1CYP2C19
SCHEMBL7067770 0.80 NOD1 (0.37) TRPV1ALDH1A1NOD1F9TP53
SCHEMBL7068332 0.80 F2 (0.40) TRPV1ALDH1A1HSD17B10MTNR1ANOD1
SCHEMBL7128797 0.79 TRPV1 (0.34) ACSS2TRPV1MTNR1ANOD1CYP2C19
SCHEMBL7072014 0.79 ACSS2 (0.39) ACSS2TRPV1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 ACSS2 609/4885TRPV1 823/4885KDM4E 3525/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 ACSS2 746/4885TRPV1 954/4885KDM4E 1583/4885

“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.