SCHEMBL963102

SCHEMBL963102

O=C1C(Br)CCCC1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37
CTRB1 P17538 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP19A1 P11511 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CTRC Q99895 1/20 0.34

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
SCHEMBL6627769 0.96 TP53 (0.50) TP53L3MBTL1DDB1CRBNCFTR
SCHEMBL16179411 0.86 TP53 (0.62) TP53L3MBTL1DDB1CRBNCFTR
SCHEMBL6762506 0.86 TP53 (0.62) TP53L3MBTL1DDB1CRBNCFTR
SCHEMBL1617463 0.81 TP53 (0.37) TP53L3MBTL1KMT2AMAPTNPSR1
SCHEMBL961105 0.78 LMNA (0.37) TP53L3MBTL1TSHRKMT2ACYP19A1
SCHEMBL195564 0.78 HTR2C (0.40) TP53L3MBTL1
SCHEMBL21558172 0.77 TP53 (0.54) TP53L3MBTL1DDB1CRBNCFTR
SCHEMBL3538429 0.77 TP53 (0.54) TP53L3MBTL1DDB1CRBNCFTR
SCHEMBL27173480 0.77 TP53 (0.54) TP53L3MBTL1DDB1CRBNCFTR
SCHEMBL18418755 0.76 DDB1 (0.52) DDB1CRBNKMT2ACYP19A1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696690-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives ARES TRADING S.A. (CH) 2020-06-30 US disclosed
US-20180215770-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES ARES TRADING SA (CH) 2018-08-02 US disclosed
US-20180215770-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES ARES TRADING SA (CH) 2018-08-02 US disclosed
US-9932354-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives ARES TRADING S.A. (CH) 2018-04-03 US disclosed
US-9932354-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives ARES TRADING S.A. (CH) 2018-04-03 US disclosed
CN-104395324-B Mi Zuo Bing oxadiazoles and imidazo thiadiazoles derivative 阿瑞斯贸易股份有限公司 2017-09-12 CN disclosed
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
EP-2855488-B1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES ARES TRADING SA (CH) 2016-04-13 EP disclosed
US-20150175628-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
US-20150175628-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
EP-2231629-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO disclosed
WO-2009087127-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 WO disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 US disclosed
US-5387595-A Antiinflammatory agents MERCK & CO., INC. (US) 1995-02-07 US disclosed
WO-1994004487-A1 ALICYCLIC COMPOUNDS AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-03-03 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 (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-20180215770-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES APP, BACE1, PSEN1 TP53 3298/4885L3MBTL1 3301/4885DDB1 2048/4885
US-20150175628-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES APP, BACE1, PSEN1 TP53 3298/4885L3MBTL1 3301/4885DDB1 2048/4885
US-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 TP53 1297/4885L3MBTL1 521/4885DDB1 1077/4885
US-10696690-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives APP, BACE1, PSEN1 TP53 3298/4885L3MBTL1 3301/4885DDB1 2048/4885
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 TP53 1887/4885L3MBTL1 3375/4885DDB1 3198/4885

“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.