Sugi Predict

Sugi Predict / Compounds / SCHEMBL7973385

SCHEMBL7973385

SCHEMBL7973385

Cn1nc(-c2ccc(C3CCCCC3)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.39
▸ RAF1 P04049 1/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.34
▸ PARP1 P09874 2/20 0.33
▸ PARP2 Q9UGN5 2/20 0.33
▸ DGAT1 O75907 3/20 0.33
▸ SOAT1 P35610 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ FASN P49327 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ TOP1 P11387 2/20 0.32
▸ TOP2A P11388 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALOX5 P09917 1/20 0.32

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
SCHEMBL10140031 0.99 SIGMAR1 (0.37) SIGMAR1RAF1DHODHTMEM97PARP1
SCHEMBL7970581 0.86 F9 (0.40) NPC1RAB9ACHEK2TOP1TOP2A
SCHEMBL7973155 0.85 F9 (0.39) NPC1RAB9ACHEK2TOP1TOP2A
SCHEMBL7965824 0.84 SIRT2 (0.37) CHEK2TOP1TOP2AALDH1A1HPGD
SCHEMBL7972135 0.84 PDE10A (0.37) DGAT1NPC1RAB9ACHEK2SMN1; SMN2
SCHEMBL7971018 0.84 HSD17B10 (0.37) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL7960814 0.83 NPC1 (0.39) NPC1RAB9ATOP1TOP2AALDH1A1
SCHEMBL7971397 0.83 ALDH1A1 (0.39) NPC1RAB9ATOP1TOP2AALDH1A1
SCHEMBL7970061 0.83 GUSB (0.39) NPC1RAB9ACHEK2TOP1TOP2A
SCHEMBL7970587 0.83 TOP1 (0.34) DGAT1SOAT1CHEK2TOP1TOP2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 — — EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 — — EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 — — US disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 — — US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 — — US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 — — US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 — — 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 (1 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 SIGMAR1 3870/4885RAF1 305/4885DHODH 538/4885

“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.