Sugi Predict

Sugi Predict / Compounds / SCHEMBL7072153

SCHEMBL7072153

SCHEMBL7072153

CC(=N)N1CCc2[nH]c(Cc3nc4ccc(C(=O)NCCOc5ccccc5Cl)cc4n3C)nc2C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 5/20 0.36
▸ TPSAB1 Q15661 3/20 0.36
▸ TPSD1 Q9BZJ3 3/20 0.36
▸ TPSG1 Q9NRR2 3/20 0.36
▸ PDE2A O00408 2/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL7075212 0.93 NPC1 (0.43) RAB9ANPC1TPSAB1TPSD1TPSG1
SCHEMBL7073496 0.90 NPC1 (0.46) RAB9AMAPK1NPC1TPSAB1TPSD1
SCHEMBL7071990 0.89 PPARG (0.40) KMT2ANPC1TPSAB1TPSD1TPSG1
SCHEMBL7072326 0.87 TPSAB1 (0.41) RAB9AMEN1KMT2ANPC1TPSAB1
SCHEMBL7073893 0.87 F10 (0.39) RAB9AMEN1KMT2ANPC1TPSAB1
SCHEMBL7072576 0.84 GAA (0.37) RAB9AKDM4EKMT2ANPC1PDE10A
SCHEMBL7073312 0.83 TRPV1 (0.37) MAPTLMNAGAATP53
SCHEMBL7072285 0.81 SMN1; SMN2 (0.40) MAPTLMNASMN1; SMN2TP53
SCHEMBL7074863 0.81 GAA (0.36) RAB9ANPC1PDE10AMAPTLMNA
SCHEMBL7072504 0.81 GAA (0.38) RAB9ANPC1PDE10ASMN1; SMN2GAA

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 5 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
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 — — EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 — — WO 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 RAB9A 791/4885MAPK1 3634/4885KDM4E 3525/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 RAB9A 1714/4885MAPK1 4479/4885KDM4E 1583/4885

“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.