Sugi Predict

Sugi Predict / Compounds / SCHEMBL16005123

SCHEMBL16005123

SCHEMBL16005123

COc1c(Cl)cc(Br)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 7/20 0.50
▸ ALDH1A1 P00352 6/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PRKDC P78527 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ TPMT P51580 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL31715172 0.82 CYP1A2 (0.42) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL1071145 0.81 ERN1 (0.53) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL31551028 0.81 ERN1 (0.53) ERN1ALDH1A1CYP1A2KDM4ETSHR
SCHEMBL6413771 0.81 ERN1 (0.53) ERN1ALDH1A1CYP1A2KDM4ETSHR
SCHEMBL16005190 0.80 ERN1 (0.41) ERN1ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL442742 0.80 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRCA2HSD17B10
SCHEMBL127848 0.79 ERN1 (0.66) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL22216903 0.79 ERN1 (0.51) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL1748304 0.78 ERN1 (0.40) ERN1ALDH1A1PRKDCKDM4ETSHR
SCHEMBL18511982 0.78 MCL1 (0.51) ERN1ALDH1A1CYP1A2CYP2C19PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166177-B Boron-containing PDE4 inhibitors 辉瑞公司 2024-09-03 — — CN disclosed
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 — — EP disclosed
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 — — EP disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 — — US disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 — — US disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 — — US disclosed
US-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 — — US disclosed
US-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 — — US disclosed
EP-3861001-A1 BORON CONTAINING PDE4 INHIBITORS Pfizer Inc. (US) 2021-08-11 — — EP disclosed
CN-113166177-A Boron-containing PDE4 inhibitors 辉瑞公司 2021-07-23 — — CN disclosed
US-20210069219-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2021-03-11 — — US disclosed
US-20210069219-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2021-03-11 — — US disclosed
US-20200108083-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2020-04-09 — — US disclosed
WO-2020070651-A1 BORON CONTAINING PDE4 INHIBITORS PFIZER INC. (US) 2020-04-09 — — WO disclosed
US-20200108083-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2020-04-09 — — US disclosed
EP-2774914-B1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF UNIV NANJING MEDICAL (CN) 2017-12-06 — — EP disclosed
US-9481636-B2 N-benzylaniline derivative and uses thereof NANJING MEDICAL UNIVERSITY (CN) 2016-11-01 — — US disclosed
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Neurodawn Pharmaceutical Co., Ltd. (CN) 2014-10-09 — — US disclosed
EP-2774914-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Nanjing Medical University (CN) 2014-09-10 — — EP disclosed
CN-103183711-A Di-triaromatic amine-substituted phosphonooxy benzophenanthrene compounds, intermediates and preparation method and application KUNSHAN VISIONOX DISPLAY TECH 2013-07-03 — — CN 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-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PDE4B, PDE4A, PDE3B ERN1 3025/4885ALDH1A1 218/4885CYP1A2 391/4885
US-20210069219-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B ERN1 3340/4885ALDH1A1 1423/4885CYP1A2 1070/4885
US-20200108083-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B ERN1 3340/4885ALDH1A1 1423/4885CYP1A2 1070/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B ERN1 3340/4885ALDH1A1 1423/4885CYP1A2 1070/4885
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF NLN, INA, TRPV1 ERN1 1346/4885ALDH1A1 1015/4885CYP1A2 940/4885

“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.