SCHEMBL7069754

SCHEMBL7069754

CC(c1nc2ccccc2[nH]1)c1nc2ccc(C(=O)NCCOc3ccccc3)cc2n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
TPSAB1 Q15661 3/20 0.47
TPSD1 Q9BZJ3 3/20 0.47
TPSG1 Q9NRR2 3/20 0.47
ACSS2 Q9NR19 2/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
RECQL P46063 1/20 0.42
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL7072186 0.94 TPSAB1 (0.43) NPC1TPSAB1TPSD1TPSG1ACSS2
SCHEMBL7068079 0.92 TPSAB1 (0.47) NPC1TPSAB1TPSD1TPSG1ACSS2
SCHEMBL7397634 0.90 L3MBTL1 (0.41) NPC1TPSAB1TPSD1TPSG1ACSS2
SCHEMBL7073363 0.90 L3MBTL1 (0.50) NPC1TPSAB1TPSD1TPSG1RAB9A
SCHEMBL7070278 0.90 MEN1 (0.47) TPSAB1TPSD1TPSG1ACSS2SMN1; SMN2
SCHEMBL7072276 0.90 NPC1 (0.44) NPC1TPSAB1TPSD1TPSG1ACSS2
SCHEMBL7075803 0.89 TPSAB1 (0.46) NPC1TPSAB1TPSD1TPSG1ACSS2
SCHEMBL7075811 0.89 L3MBTL1 (0.42) NPC1TPSAB1TPSD1TPSG1ACSS2
SCHEMBL7072592 0.87 CTSS (0.44) NPC1TPSAB1TPSD1TPSG1ACSS2
SCHEMBL7073880 0.87 L3MBTL1 (0.42) TPSAB1TPSD1TPSG1ACSS2HPGD

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 NPC1 1362/4885TPSAB1 5/4885TPSD1 6/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 NPC1 3932/4885TPSAB1 5/4885TPSD1 3/4885

“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.