SCHEMBL7546589

SCHEMBL7546589

CC(=O)c1sccc1CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.41
MAPK10 P53779 1/20 0.41
ALDH1A1 P00352 3/20 0.39
GSK3B P49841 1/20 0.39
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
KMT2A Q03164 5/20 0.35
POLB P06746 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
AXL P30530 1/20 0.33
LMNA P02545 1/20 0.33
ABCC1 P33527 1/20 0.33
RAB9A P51151 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
SCHEMBL14614093 0.83 MAPK8 (0.42) MAPK8MAPK10ALDH1A1GSK3BPRNP
SCHEMBL2080157 0.82 MAPK8 (0.41) MAPK8MAPK10ALDH1A1GSK3BPRNP
SCHEMBL2083788 0.82 MAPK8 (0.41) MAPK8MAPK10ALDH1A1GSK3BPRNP
SCHEMBL12077076 0.82 PTPN2 (0.43) NPSR1KMT2AMEN1AXLLMNA
SCHEMBL15895178 0.80 GSK3B (0.43) MAPK8MAPK10ALDH1A1GSK3BPRNP
SCHEMBL158675 0.79 KMT2A (0.54) MAPK8MAPK10ALDH1A1PPARGNPSR1
SCHEMBL18070616 0.78 MAPK8 (0.46) MAPK8MAPK10GSK3BPRNPPPARG
SCHEMBL12508090 0.78 SLC6A1 (0.43) MAPK8MAPK10GSK3BPRNPPPARG
SCHEMBL12948208 0.78 PRKCI (0.43) MAPK8MAPK10ALDH1A1GSK3BPRNP
SCHEMBL5247962 0.77 MAPT (0.47) MAPK8MAPK10ALDH1A1NPSR1RXFP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010101967-A2 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-05 US disclosed
US-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 US disclosed
US-6291452-B1 CHOLECYSTOKININ ANTAGONISTS. FUJISAWA PHARMACETICAL CO., LTD. (JP) 2001-09-18 US disclosed
EP-0934282-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
WO-1998015535-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-16 WO disclosed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
US-4179511-A Antibacterial 3-(5-tetrazolyl) penam compounds PFIZER INC. (US) 1979-12-18 US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US disclosed
US-4110342-A PENICILLIN AND CEPHALOSPORIN INTERMEDIATES PFIZER INC. (US) 1978-08-29 US 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-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 MAPK8 837/4885MAPK10 552/4885ALDH1A1 1169/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 MAPK8 837/4885MAPK10 552/4885ALDH1A1 1169/4885

“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.