SCHEMBL6165847

SCHEMBL6165847

COC(=O)c1cccc(-n2cc(C(=O)OCc3ccccc3)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 4/20 0.48
KMT2A Q03164 2/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
NPC1 O15118 3/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.45
JMJD6 Q6NYC1 1/20 0.45
HPGDS O60760 1/20 0.45
ALKBH2 Q6NS38 1/20 0.45
ESRRA P11474 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CD74 P04233 1/20 0.43
MIF P14174 1/20 0.43

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
SCHEMBL6165168 0.83 HPGDS (0.61) RAB9ATP53ALDH1A1KDM4EMAPT
SCHEMBL20282062 0.83 HPGDS (0.57) RAB9ATP53ALDH1A1KDM4EMAPT
SCHEMBL8085746 0.80 HPGDS (0.68) RAB9ATP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27337757 0.80 KMT2A (0.69) RAB9ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL6165131 0.79 TP53 (0.55) RAB9ATP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL16799801 0.78 HPGDS (0.54) RAB9ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL6167298 0.78 ALDH1A1 (0.58) RAB9ATP53SMN1; SMN2ALDH1A1TDP1
SCHEMBL6669062 0.76 RAB9A (0.75) RAB9ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL18586308 0.76 ALKBH1 (0.54) RAB9ATP53SMN1; SMN2NPC1ALKBH1
SCHEMBL22580254 0.76 TP53 (0.58) RAB9ATP53ALDH1A1MAPTNPC1

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 1379/4885TP53 4859/4885SMN1; SMN2 528/4885

“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.