SCHEMBL3528080

SCHEMBL3528080

Cc1c(C(C)(C)C)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
ALOX15 P16050 2/20 0.60
BCHE P06276 1/20 0.60
PTGS2 P35354 1/20 0.60
LMNA P02545 2/20 0.58
ADORA3 P0DMS8 1/20 0.58
TSHR P16473 4/20 0.57
CYP1A2 P05177 2/20 0.57
THRB P10828 1/20 0.57
NAPRT Q6XQN6 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 1/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 2/20 0.53
CYP2D6 P10635 1/20 0.53
POLB P06746 1/20 0.51
TP53 P04637 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL3527212 0.86 ALDH1A1 (0.51) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL14946541 0.86 ALDH1A1 (0.47) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL14087720 0.84 ALDH1A1 (0.54) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL11333914 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL11303783 0.79 ALOX15 (0.51) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL588715 0.78 ALDH1A1 (0.68) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL2449608 0.78 ALOX15 (0.68) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL13236554 0.78 ALDH1A1 (0.40) ALDH1A1ALOX15BCHEPTGS2LMNA
SCHEMBL13999370 0.77 SMN1; SMN2 (0.58) ALDH1A1ALOX15BCHEPTGS2LMNA
Hydrochloric Acid SCHEMBL28311112 0.77 ALOX15 (0.66) ALDH1A1ALOX15BCHEPTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US claimed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US claimed
CN-114853676-B Synthesis method of 1H-imidazole compound 湖南第一师范学院 2023-11-17 CN disclosed
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US disclosed
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 US disclosed
CN-105601785-A Epoxy active diluent modified acrylic acid resin aqueous dispersion WUHAN INST TECHNOLOGY 2016-05-25 CN disclosed
US-7759344-B2 Bis-aryl amide derivatives and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
US-7759344-B2 Bis-aryl amide derivatives and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-20080234268-A1 Bis-aryl amide derivatives and methods of use AMGEN INC. (US) 2008-09-25 US disclosed
US-20080234268-A1 Bis-aryl amide derivatives and methods of use AMGEN INC. (US) 2008-09-25 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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 (5 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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 ALDH1A1 2177/4885ALOX15 2031/4885BCHE 3043/4885
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 ALDH1A1 105/4885ALOX15 743/4885BCHE 3245/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 ALDH1A1 2177/4885ALOX15 2031/4885BCHE 3043/4885
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF OPRL1, OPRD1, OPRK1 ALDH1A1 295/4885ALOX15 750/4885BCHE 2434/4885
US-20080234268-A1 Bis-aryl amide derivatives and methods of use MET, REL, NAT1 ALDH1A1 271/4885ALOX15 1670/4885BCHE 190/4885

“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.