SCHEMBL7072023

SCHEMBL7072023

CCOc1ccccc1CCCNC(=O)c1ccc2nc(C(C)c3nc4cc(O)ccc4[nH]3)n(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NAMPT P43490 7/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL7072433 0.94 POLB (0.38) POLBTDP1MAPTMEN1KMT2A
SCHEMBL7073547 0.94 POLB (0.38) POLBTDP1MAPTMEN1KMT2A
SCHEMBL7070392 0.90 TPSAB1 (0.41) POLBMAPTMEN1KMT2ALMNA
SCHEMBL7073523 0.88 TPSAB1 (0.39) POLBTDP1MAPTMEN1KMT2A
SCHEMBL7075080 0.87 TPSAB1 (0.39) POLBTDP1MAPTMEN1KMT2A
SCHEMBL7075729 0.86 HPGD (0.40) POLBTDP1MAPTMEN1KMT2A
SCHEMBL7119344 0.86 TPSAB1 (0.39) POLBTDP1MAPTMEN1KMT2A
SCHEMBL7068181 0.85 TPSAB1 (0.41) MEN1KMT2ALMNAHPGDKDM4E
SCHEMBL7068373 0.85 TPSAB1 (0.39) POLBTDP1MAPTMEN1KMT2A
SCHEMBL7071864 0.84 ACSS2 (0.43) POLBLMNATP53ALDH1A1HPGD

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 POLB 2637/4885TDP1 1691/4885MAPT 2104/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 POLB 2297/4885TDP1 2602/4885MAPT 2289/4885

“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.