Sugi Predict

Sugi Predict / Compounds / SCHEMBL961245

SCHEMBL961245

SCHEMBL961245

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ CYP2C9 P11712 4/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GABBR2 O75899 3/20 0.41
▸ GABBR1 Q9UBS5 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TBXAS1 P24557 2/20 0.40

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
SCHEMBL1533351 0.96 POLB (0.54) POLBKMT2ACYP2C9CYP2C19MEN1
SCHEMBL22397201 0.89 POLB (0.53) POLBKMT2ACYP2C9CYP2C19MEN1
SCHEMBL27842577 0.88 POLB (0.53) POLBCYP2C9CYP2C19CYP2D6TDP1
SCHEMBL962850 0.85 TBXAS1 (0.52) POLBCYP2C19CYP2D6LMNATBXAS1
SCHEMBL6405250 0.85 POLB (0.50) POLBKMT2ACYP2C9CYP2C19MEN1
SCHEMBL12500447 0.85 POLB (0.50) POLBKMT2ACYP2C9CYP2C19MEN1
SCHEMBL951695 0.85 POLB (0.50) POLBKMT2ACYP2C9CYP2C19MEN1
SCHEMBL961952 0.84 KMT2A (0.51) POLBKMT2ACYP2C19TDP1L3MBTL1
SCHEMBL27751810 0.84 POLB (0.53) POLBKMT2ACYP2C9CYP2C19MEN1
SCHEMBL27400979 0.84 POLB (0.49) POLBKMT2ACYP2C9CYP2C19MEN1

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 27 patents — showing the first 20. 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-3535266-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-12-29 — — EP disclosed
EP-3535266-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-12-29 — — EP disclosed
CN-109641912-B Bicyclic heteroaryl derivatives 豪夫迈·罗氏有限公司 2021-10-29 — — CN disclosed
US-10941147-B2 Bicyclic heteroaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2021-03-09 — — US disclosed
US-10941147-B2 Bicyclic heteroaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2021-03-09 — — 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-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 (4 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 649/4885KMT2A 2045/4885CYP2C9 2479/4885
US-11440915-B2 Triazolo-azepine derivatives HUWE1, PSEN1, UPF1 POLB 753/4885KMT2A 1856/4885CYP2C9 2614/4885
US-10941147-B2 Bicyclic heteroaryl derivatives HUWE1, APP, HTT POLB 784/4885KMT2A 686/4885CYP2C9 3096/4885
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 POLB 1116/4885KMT2A 4488/4885CYP2C9 2992/4885

“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.