SCHEMBL7072285

SCHEMBL7072285

CC(=N)N1CCc2[nH]c(Cc3nc4ccc(C(=O)NCc5ccc6ccccc6c5)cc4n3C)nc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 2/20 0.38
TP53 P04637 3/20 0.37
BMPR2 Q13873 1/20 0.37
F2 P00734 1/20 0.37
NR1H4 Q96RI1 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
RORC P51449 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL7073312 0.86 TRPV1 (0.37) MAPTTP53HDAC1HDAC6LMNA
SCHEMBL7072504 0.86 GAA (0.38) SMN1; SMN2HDAC1HDAC6
SCHEMBL7075048 0.85 ACSS2 (0.38) SMN1; SMN2F2HDAC1HDAC6
SCHEMBL7073496 0.85 NPC1 (0.46) SMN1; SMN2TP53HDAC6
SCHEMBL7074863 0.83 GAA (0.36) SMN1; SMN2MAPTTP53LMNA
SCHEMBL7075212 0.82 NPC1 (0.43) MAPT
SCHEMBL7072576 0.82 GAA (0.37) SMN1; SMN2MAPTTP53LMNA
SCHEMBL7073158 0.82 NAMPT (0.39) SMN1; SMN2
SCHEMBL7072326 0.82 TPSAB1 (0.41) SMN1; SMN2MAPTLMNA
SCHEMBL7072153 0.81 RAB9A (0.37) SMN1; SMN2MAPTTP53LMNA

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 SMN1; SMN2 1710/4885MAPT 2104/4885THRB 4581/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 SMN1; SMN2 3509/4885MAPT 2289/4885THRB 3865/4885

“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.