SCHEMBL7071872

SCHEMBL7071872

[c]1nc2ccc3ncccc3c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
ERN1 O75460 1/20 0.38
NCOA1 Q15788 2/20 0.37
NCOA3 Q9Y6Q9 1/20 0.36
POLB P06746 2/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 1/20 0.35
ACVR1 Q04771 2/20 0.34
NPC1 O15118 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
SCHEMBL3863519 0.78 KDM4E (0.42) KDM4ESMN1; SMN2ERN1
SCHEMBL217044 0.72 MAPT (1.00) MAPTKDM4ECYP3A4LMNAMEN1
Hydrochloric Acid SCHEMBL28420480 0.70 MAPT (0.94) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL1498128 0.69 MAPT (0.58) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL83269 0.68
SCHEMBL2926836 0.68 MAPT (0.89) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL29539091 0.68 MAPT (0.89) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL29852620 0.67 MAPT (0.54) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL2087722 0.67 MAPT (0.54) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL5026012 0.66

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 4 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
US-6150379-A BLOOD COAGULATION FACTOR XA INHIBITORS; TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE ACTIVITY; THROMBOLYTIC AND ISCHEMIC AGENTS; E.G., 2-(6-(5-AMIDINO-1H-BENZIMIDAZOL-2-YL)-PYRID-3-YLCARBONYLAMINO)-3 -HYDROXYBUTYRIC ACID AXYS PHARMACEUTICALS, INC. (US) 2000-11-21 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 MAPT 2104/4885KDM4E 3525/4885CYP3A4 1190/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 MAPT 2289/4885KDM4E 1583/4885CYP3A4 122/4885

“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.