SCHEMBL6165320

SCHEMBL6165320

COC(=O)c1cccc(C(=S)NNC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.42
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL6165738 0.86 RAB9A (0.47) ALDH1A1RAB9ANPC1LOXL2CYP4F2
SCHEMBL558157 0.80 TSHR (0.53) ALDH1A1RAB9ANPC1LOXL2CYP4F2
SCHEMBL7257964 0.79 RAB9A (0.51) ALDH1A1GAARAB9ANPC1POLB
SCHEMBL2108802 0.76 CHRNA1 (0.47) ALDH1A1GAARAB9APOLB
SCHEMBL23792140 0.76 RAB9A (0.62) ALDH1A1RAB9ANPC1LOXL2CYP4F2
SCHEMBL15789054 0.75 RAB9A (0.61) ALDH1A1RAB9ANPC1POLBMAPT
SCHEMBL17680521 0.75 SMN1; SMN2 (0.49) ALDH1A1GAARAB9ANPC1POLB
SCHEMBL27468465 0.75 LOXL2 (0.47) ALDH1A1RAB9ANPC1LOXL2CYP4F2
SCHEMBL20023253 0.75 LOXL2 (0.47) ALDH1A1RAB9ANPC1LOXL2CYP4F2
SCHEMBL34953 0.74 TSHR (0.70) ALDH1A1RAB9ANPC1LOXL2CYP4F2

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 ALDH1A1 316/4885GAA 2415/4885RAB9A 1379/4885

“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.