Sugi Predict

Sugi Predict / Compounds / SCHEMBL9964663

SCHEMBL9964663

SCHEMBL9964663

Cc1ccc(N2CCOC2=O)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ GRM5 P41594 6/20 0.39
▸ IDH1 O75874 3/20 0.38
▸ PIM1 P11309 2/20 0.38
▸ OGA O60502 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GPR119 Q8TDV5 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
SCHEMBL14923656 0.82 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2645587 0.81 MAP4K1 (0.39) GRM5IDH1PIM1
SCHEMBL13424162 0.81 IDH1 (0.38) GRM5IDH1PIM1
SCHEMBL411695 0.81 AKR1C3 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14946762 0.80 DGAT1 (0.43) DGAT1GRM5IDH1PIM1SMN1; SMN2
SCHEMBL17232492 0.80 HRH3 (0.38) GRM5IDH1PIM1
SCHEMBL17221384 0.78 KCNJ1 (0.43) GRM5IDH1PIM1
SCHEMBL17221105 0.77 VHL (0.38) DGAT1PIM1
SCHEMBL17229262 0.77 IDH1 (0.39) IDH1PIM1
SCHEMBL28941034 0.77 MAPT (0.44) DGAT1SMN1; SMN2NPC1STAT3RAB9A

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-8507481-B2 Benzoxazine oxazolidinone compounds, preparation methods and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-08-13 — — US disclosed
US-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF NANJING CHANGAO PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LIMITED (CN) 2013-05-16 — — US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 — — US disclosed
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 — — US disclosed
WO-2008108988-A1 ANTIMICROBIAL HETEROCYCLIC COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2008-09-12 — — 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-20130123249-A1 NOVEL BENZOXAZINE OXAZOLIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF XDH, OXA1L, CYP3A5 DGAT1 4246/4885GRIN2D 1056/4885GRIN3B 2451/4885
US-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 DGAT1 2130/4885GRIN2D 4788/4885GRIN3B 4641/4885

“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.