SCHEMBL7073496

SCHEMBL7073496

CC(=N)N1CCc2[nH]c(Cc3nc4ccc(C(=O)NCCOc5ccccc5)cc4n3C)nc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
TPSAB1 Q15661 3/20 0.40
TPSD1 Q9BZJ3 3/20 0.40
TPSG1 Q9NRR2 3/20 0.40
NAMPT P43490 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
F10 P00742 2/20 0.38
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
RECQL P46063 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
ACSS2 Q9NR19 1/20 0.36

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
SCHEMBL7072326 0.94 TPSAB1 (0.41) NPC1TPSAB1TPSD1TPSG1F10
SCHEMBL7073893 0.93 F10 (0.39) NPC1TPSAB1TPSD1TPSG1NAMPT
SCHEMBL7071990 0.93 PPARG (0.40) NPC1TPSAB1TPSD1TPSG1F10
SCHEMBL7075212 0.92 NPC1 (0.43) NPC1TPSAB1TPSD1TPSG1RAB9A
SCHEMBL7072153 0.90 RAB9A (0.37) NPC1TPSAB1TPSD1TPSG1RAB9A
SCHEMBL7072576 0.86 GAA (0.37) NPC1RAB9ASMN1; SMN2TP53PIK3CD
SCHEMBL7073312 0.85 TRPV1 (0.37) HDAC6TP53POLBACSS2
SCHEMBL7072285 0.85 SMN1; SMN2 (0.40) HDAC6SMN1; SMN2TP53
SCHEMBL7072504 0.84 GAA (0.38) NPC1HDAC6RAB9ASMN1; SMN2POLB
SCHEMBL7074863 0.84 GAA (0.36) NPC1NAMPTRAB9ASMN1; SMN2TP53

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 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.