SCHEMBL7069757

SCHEMBL7069757

Cn1c(CCc2nc3ccccc3[nH]2)nc2ccc(C(=O)NCCOc3ccccc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
THRB P10828 1/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.47
TPSAB1 Q15661 2/20 0.47
TPSD1 Q9BZJ3 2/20 0.47
TPSG1 Q9NRR2 2/20 0.47
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPK10 P53779 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL7071870 0.82 NPC1 (0.46) MAPTTHRBLMNANPC1ALDH1A1
SCHEMBL7069754 0.81 NPC1 (0.49) MAPTTHRBLMNANPC1TPSAB1
SCHEMBL7364157 0.78 MAPT (0.42) MAPTTHRBNPC1ALDH1A1TPSAB1
SCHEMBL7125932 0.77 TPSAB1 (0.39) MAPTTHRBALDH1A1TPSAB1TPSD1
SCHEMBL7847240 0.76 POLB (0.40) MAPTTHRBALDH1A1TPSAB1TPSD1
SCHEMBL7072186 0.75 TPSAB1 (0.43) THRBNPC1TPSAB1TPSD1TPSG1
SCHEMBL7126111 0.74 MAPT (0.40) MAPTLMNANPC1ALDH1A1TPSAB1
SCHEMBL7068079 0.74 TPSAB1 (0.47) LMNANPC1TPSAB1TPSD1TPSG1
SCHEMBL7071781 0.73 F10 (0.42) MAPTNPC1ALDH1A1TPSAB1TPSD1
SCHEMBL7073496 0.73 NPC1 (0.46) NPC1TPSAB1TPSD1TPSG1POLB

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 5 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
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO 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 MAPT 2104/4885THRB 4581/4885LMNA 2467/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 MAPT 2289/4885THRB 3865/4885LMNA 3929/4885

“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.