SCHEMBL7068332

SCHEMBL7068332

Cn1c(Cc2nc3cc(NC(=N)N)ccc3[nH]2)nc2ccc(C(=O)NCCc3cccc4ccccc34)cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
F9 P00740 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
MLLT1 Q03111 2/20 0.39
NOD1 Q9Y239 2/20 0.38
MTNR1A P48039 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL7071907 0.91 NOD1 (0.38) F9TRPV1TP53MLLT1NOD1
SCHEMBL7071922 0.90 NOD1 (0.37) ALDH1A1SMN1; SMN2HSD17B10F9MAPT
SCHEMBL7072699 0.88 TRPV1 (0.40) F2ALDH1A1SMN1; SMN2MAPTTRPV1
SCHEMBL7075076 0.88 TRPV1 (0.46) F2F9POLBMAPTTRPV1
SCHEMBL7072014 0.87 ACSS2 (0.39) ALDH1A1F9TRPV1NOD1MTNR1A
SCHEMBL7069142 0.86 F9 (0.45) F9MAPTTRPV1GAA
SCHEMBL7072608 0.86 KLK5 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7070345 0.85 TRPV1 (0.37) NPC1RAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7068297 0.85 TRPV1 (0.43) MAPTTRPV1GAATHRBMTNR1A
SCHEMBL7067672 0.84 MLLT1 (0.41) F2NPC1RAB9AALDH1A1SMN1; 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 7 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 claimed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US claimed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP claimed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO claimed
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 F2 1732/4885NPC1 1362/4885RAB9A 791/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 F2 1787/4885NPC1 3932/4885RAB9A 1714/4885

“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.