SCHEMBL962540

SCHEMBL962540

O=C(O)C(CCCCCl)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A3 Q01959 3/20 0.41
TBXAS1 P24557 2/20 0.40
TBXA2R P21731 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MME P08473 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
FOLH1 Q04609 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL961183 0.97 POLB (0.41) POLBTDP1L3MBTL1SLC6A3TBXAS1
SCHEMBL29009923 0.85 LMNA (0.46) POLBTBXA2RPPARDMMEPTGS1
SCHEMBL27960498 0.84 MME (0.39) POLBTDP1L3MBTL1TBXAS1TBXA2R
SCHEMBL961245 0.84 POLB (0.50) POLBTDP1L3MBTL1SLC6A3TBXAS1
SCHEMBL962850 0.84 TBXAS1 (0.52) POLBTBXAS1CPN1CPB2HDAC1
SCHEMBL28987106 0.83 TBXA2R (0.56) POLBTDP1L3MBTL1TBXAS1TBXA2R
SCHEMBL964027 0.83 CES2 (0.37) POLBTDP1L3MBTL1SLC6A3TBXAS1
SCHEMBL27842577 0.83 POLB (0.53) POLBTDP1L3MBTL1TBXAS1PTGS1
SCHEMBL2489621 0.83 HTR7 (0.46) POLBMMEPTGS1PTGS2HDAC3
SCHEMBL961952 0.83 KMT2A (0.51) POLBTDP1L3MBTL1TBXAS1CPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315745-B Triazolo-aza derivatives 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
EP-3728262-B1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-03-15 EP disclosed
US-11440915-B2 Triazolo-azepine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-09-13 US disclosed
EP-3728262-A1 TRIAZOLO-AZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-10-28 EP disclosed
US-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
CN-111315745-A Triazolo-aza derivatives 豪夫迈·罗氏有限公司 2020-06-19 CN disclosed
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
CN-102356081-A Bicyclic compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2012-02-15 CN disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HUWE1, APP, PSEN1 POLB 649/4885TDP1 154/4885L3MBTL1 1319/4885
US-11440915-B2 Triazolo-azepine derivatives HUWE1, PSEN1, UPF1 POLB 753/4885TDP1 143/4885L3MBTL1 1175/4885
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 POLB 1116/4885TDP1 1618/4885L3MBTL1 3375/4885

“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.