Sugi Predict

Sugi Predict / Compounds / SCHEMBL6164705

SCHEMBL6164705

SCHEMBL6164705

CN(C)c1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1-c1cccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 4/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ MMP1 P03956 2/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP8 P22894 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CHRM3 P20309 2/20 0.34
▸ KCNQ4 P56696 1/20 0.34
▸ KCNQ5 Q9NR82 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ GLA P06280 1/20 0.33

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
SCHEMBL5562862 0.92 RAB9A (0.41) RAB9AMEN1KMT2AMAPTNPSR1
SCHEMBL6607277 0.86 MAPT (0.39) RAB9AMEN1KMT2AMAPTNPSR1
SCHEMBL6163360 0.84 AAK1 (0.37) RXFP1CHRM3KCNQ4KCNQ5
SCHEMBL6165636 0.83 MAPT (0.40) RAB9AMEN1KMT2AMAPTNPSR1
SCHEMBL5868851 0.82 RAB9A (0.44) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL5557485 0.78 RAB9A (0.42) RAB9AMEN1KMT2AMAPTNPC1
SCHEMBL6164947 0.78 RECQL (0.42) RAB9AKMT2AMAPTNPSR1NPC1
SCHEMBL5556891 0.77 LMNA (0.41) MAPTNPSR1SMN1; SMN2ALOX5RXFP1
SCHEMBL6881721 0.77 KMT2A (0.42) RAB9AMEN1KMT2AMAPTNPSR1
SCHEMBL7138538 0.77 RAB9A (0.41) RAB9AMEN1KMT2AMAPTNPC1

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
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 — — EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 — — EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 — — US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 — — US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 — — 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 RAB9A 1379/4885MEN1 1887/4885KMT2A 1244/4885

“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.