SCHEMBL7067672

SCHEMBL7067672

Cn1c(=O)c2ccccc2n(CCNC(=O)c2ccc3nc(Cc4nc5cc(NC(=N)N)ccc5[nH]4)n(C)c3c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 6/20 0.41
TPH1 P17752 2/20 0.37
TPH2 Q8IWU9 2/20 0.37
F9 P00740 1/20 0.36
F2 P00734 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOD1 Q9Y239 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
F10 P00742 1/20 0.35
F7 P08709 1/20 0.35
KLK1 P06870 1/20 0.34
KLK5 Q9Y337 1/20 0.34

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
SCHEMBL7068332 0.84 F2 (0.40) MLLT1F9F2GAAALDH1A1
SCHEMBL7071866 0.80 MLLT1 (0.36) MLLT1F9GAAALDH1A1HSD17B10
SCHEMBL7069160 0.80 MAPT (0.44) MLLT1F2GAAALDH1A1HSD17B10
SCHEMBL7069042 0.79 MLLT1 (0.33) MLLT1GAAALDH1A1HSD17B10POLB
SCHEMBL7072410 0.79 MAPT (0.43) GAAALDH1A1HSD17B10NPC1RAB9A
SCHEMBL7072413 0.79 MAPT (0.43) HSD17B10NPC1RAB9ASMN1; SMN2POLB
SCHEMBL7072064 0.78 ACSS2 (0.37) MLLT1F9F2F10F7
SCHEMBL7071781 0.78 F10 (0.42) ALDH1A1NPC1MAPTF10
SCHEMBL7071907 0.77 NOD1 (0.38) MLLT1F9NOD1
SCHEMBL7072759 0.77 TNKS (0.41) MLLT1TPH1TPH2SMN1; SMN2MAPT

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 MLLT1 4411/4885TPH1 216/4885TPH2 406/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 MLLT1 3937/4885TPH1 75/4885TPH2 226/4885

“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.