SCHEMBL7073255

SCHEMBL7073255

CC(CCc1ccccc1)NC(=O)c1ccc2[nH]c(Cc3nc4cc(CN)ccc4[nH]3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.50
HSP90AA1 P07900 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HDAC6 Q9UBN7 2/20 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
SCHEMBL7068309 0.84 NAMPT (0.50) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL7069769 0.82 POLB (0.50) SMN1; SMN2HTTALDH1A1KDM4EHDAC6
SCHEMBL7070258 0.81 PLAU (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7400914 0.81 HDAC6 (0.49) SMN1; SMN2HTTALDH1A1HPGDHSP90AA1
SCHEMBL7123647 0.81 ALDH1A1 (0.49) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL7069837 0.79 ALDH1A1 (0.47) KMT2AMEN1HTTALDH1A1HPGD
SCHEMBL7071936 0.78 TLR9 (0.48) ALDH1A1HDAC6
SCHEMBL7073473 0.77 HTR2C (0.47) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL7070115 0.77 NPSR1 (0.49) SMN1; SMN2ALDH1A1HPGDHSP90AA1LMNA
Trifluoroacetic Acid SCHEMBL7067787 0.77 MLYCD (0.49) SMN1; SMN2HTTALDH1A1HPGDHSP90AA1

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 KMT2A 3958/4885MEN1 2587/4885SMN1; SMN2 1710/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 KMT2A 3040/4885MEN1 3772/4885SMN1; SMN2 3509/4885

“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.