SCHEMBL2777232

SCHEMBL2777232

CCn1c(=O)n(C(C)=CSC)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR3A P46098 1/20 0.43
HTR4 Q13639 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ATM Q13315 1/20 0.41
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PGR P06401 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2777229 1.00 TMEM97 (0.43) TMEM97SIGMAR1HTR3AHTR4MEN1
SCHEMBL2777224 1.00 TMEM97 (0.43) TMEM97SIGMAR1HTR3AHTR4MEN1
SCHEMBL2775584 0.85 MEN1 (0.53) MEN1KMT2AATMGAAALDH1A1
SCHEMBL2775579 0.85 MEN1 (0.53) MEN1KMT2AATMGAAALDH1A1
SCHEMBL2775582 0.85 MEN1 (0.53) MEN1KMT2AATMGAAALDH1A1
SCHEMBL2776224 0.84 CNR2 (0.42) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL2776229 0.84 CNR2 (0.42) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL2778819 0.80 ERCC1 (0.39) ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL2778821 0.80 ERCC1 (0.39) ALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL2778824 0.80 ERCC1 (0.39) ALDH1A1LMNASMN1; SMN2CYP1A2

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
US-7906541-B2 Process to prepare new substituted 1H-benzo[d]imidazol-2(3H)-ones, new intermediates and their use as BACE 1 inhibitors UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2011-03-15 US claimed
WO-2010052670-A1 PROCESS TO PREPARE NEW SUBSTITUTED 1H-BENZO [d] IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2010-05-14 WO claimed
US-20100120880-A1 PROCESS TO PREPARE NEW SUBSITUTED 1H-BENZO[d]IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2010-05-13 US claimed
US-7906541-B2 Process to prepare new substituted 1H-benzo[d]imidazol-2(3H)-ones, new intermediates and their use as BACE 1 inhibitors UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2011-03-15 US disclosed
WO-2010052670-A1 PROCESS TO PREPARE NEW SUBSTITUTED 1H-BENZO [d] IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2010-05-14 WO disclosed
US-20100120880-A1 PROCESS TO PREPARE NEW SUBSITUTED 1H-BENZO[d]IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS UNIVERSITE PAUL CEZANNE-AIX MARSEILLE III (FR) 2010-05-13 US disclosed
EP-2184276-A1 Process to prepare new substituted 1H-Benzo(d) imidazol-2(3h)-Ones, New intermediates and their use as bace 1 inhibitors UNIVERSITE PAUL CEZANNE AIX-MARSEILLE III (FR) 2010-05-12 EP 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-20100120880-A1 PROCESS TO PREPARE NEW SUBSITUTED 1H-BENZO[d]IMIDAZOL-2(3H)-ONES, NEW INTERMEDIATES AND THEIR USE AS BACE 1 INHIBITORS BACE1, BACE2, PSEN1 TMEM97 935/4885SIGMAR1 2392/4885HTR3A 727/4885

“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.