Sugi Predict

Sugi Predict / Compounds / SCHEMBL1048801

SCHEMBL1048801

SCHEMBL1048801

NC(c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ DPP4 P27487 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4509253 1.00 HTR2A (0.39) HTR2ACYP2A6CA1CA2CA5A
SCHEMBL1050341 1.00 HTR2A (0.39) HTR2ACYP2A6CA1CA2CA5A
Hydrochloric Acid SCHEMBL4513936 0.98 HTR2A (0.38) HTR2ACYP2A6CA1CA2CA5A
Hydrochloric Acid SCHEMBL1864740 0.98 HTR2A (0.38) HTR2ACYP2A6CA1CA2CA5A
Hydrochloric Acid SCHEMBL16653694 0.98 HTR2A (0.38) HTR2ACYP2A6CA1CA2CA5A
SCHEMBL20639987 0.84 IGF1R (0.47) ALDH1A1MAPK1
SCHEMBL4490669 0.82 CES1 (0.43) CA1CA2DPP4DPP7
SCHEMBL296872 0.78 IDO1 (0.44) CA1CA2CA9ESR1ESR2
SCHEMBL14305986 0.78 IDO1 (0.44) CA1CA2CA9ESR1ESR2
Hydrochloric Acid SCHEMBL25187772 0.76 IDO1 (0.46) HTR2AESR1ESR2PDE2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102597226-B Transamination reaction CODEXIS, INC. (US) 2015-08-19 — — CN claimed
EP-2446026-A1 TRANSAMINASE REACTIONS Codexis, Inc. (US) 2012-05-02 — — EP claimed
WO-2011005477-A1 TRANSAMINASE REACTIONS CODEXIS, INC. (US) 2011-01-13 — — WO claimed
EP-4651872-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE TO TREAT HYPOPARATHYROIDISM AND OSTEOPOROSIS Septerna, Inc. (US) 2025-11-26 — — EP disclosed
US-20250288683-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. 2025-09-18 — — US disclosed
US-20240376076-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) DANA-FARBER CANCER INSTITUTE, INC. 2024-11-14 — — US disclosed
WO-2024155601-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE TO TREAT HYPOPARATHYROIDISM AND OSTEOPOROSIS SEPTERNA, INC. (US) 2024-07-25 — — WO disclosed
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 — — US disclosed
EP-4373816-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) Dana-Farber Cancer Institute, Inc. (US) 2024-05-29 — — EP disclosed
US-20230391781-A1 MALT1 MODULATORS AND USES THEREOF RHEOS MEDICINES, INC. (US) 2023-12-07 — — US disclosed
WO-2023215449-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. (US) 2023-11-09 — — WO disclosed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 — — US disclosed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 — — US disclosed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 — — US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 — — US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 — — US disclosed
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 — — EP disclosed
CN-1914205-A Pyrazolo [3, 4-b ] pyridine compounds and their use as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2007-02-14 — — CN disclosed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 — — WO disclosed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 — — 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 (6 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-20230391781-A1 MALT1 MODULATORS AND USES THEREOF MALT1, SQSTM1, PPP1R10 HTR2A 4100/4885CYP2A6 3524/4885CA1 4422/4885
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA HTR2A 3411/4885CYP2A6 4315/4885CA1 4161/4885
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C HTR2A 2313/4885CYP2A6 108/4885CA1 1154/4885
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MAOB, MAOA, XDH HTR2A 447/4885CYP2A6 186/4885CA1 2210/4885
US-20240376076-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) USP7, USP47, USP2 HTR2A 4327/4885CYP2A6 3509/4885CA1 1447/4885
US-20250288683-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS BCL2L1, BCL2, BCL2L10 HTR2A 1883/4885CYP2A6 2708/4885CA1 3878/4885

“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.