SCHEMBL999538

SCHEMBL999538

Brc1ccc(-c2cnccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TERT O14746 2/20 0.44
METAP2 P50579 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.44
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
PIK3CD O00329 1/20 0.42
PI4KA P42356 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42

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
SCHEMBL21984930 0.89 CYP2D6 (0.55) CYP19A1CYP2D6CYP2C9CYP2C19TERT
SCHEMBL11541937 0.89 CYP2D6 (0.60) CYP19A1CYP2D6CYP2C9CYP2C19METAP2
SCHEMBL17486063 0.83 RAB9A (0.49) CYP19A1CYP2D6CYP2C9CYP2C19TERT
SCHEMBL8700941 0.82 CYP2D6 (0.60) CYP19A1CYP2D6CYP2C9CYP2C19TERT
SCHEMBL28105489 0.81 ALOX5AP (0.55) CYP19A1CYP2D6CYP2C9CYP2C19TERT
SCHEMBL15522518 0.81 CYP11B1 (0.58) CYP19A1CYP2D6CYP2C9CYP2C19RAB9A
SCHEMBL17746913 0.81 CYP19A1 (0.42) CYP19A1CYP2D6CYP2C9CYP2C19TERT
SCHEMBL29683245 0.79 CYP19A1 (0.52) CYP19A1CYP2D6CYP2C9CYP2C19METAP2
SCHEMBL17246864 0.79 CYP19A1 (0.52) CYP19A1CYP2D6CYP2C9CYP2C19METAP2
SCHEMBL19933562 0.79 METAP2 (0.52) METAP2RAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946084-A Linear aza D-A type nonlinear optical material, and preparation method and application thereof 浙江工业大学 2024-04-30 CN claimed
CN-114354595-A Organic acidity detection agent and method, test paper, preparation method and application 南京艾姆材料科技有限公司 2022-04-15 CN claimed
EP-4051667-B1 HETEROCYCLIC CARBOXYLATE COMPOUNDS AS GLYCOLATE OXIDASE INHIBITORS LILAC THERAPEUTICS INC (US) 2026-01-28 EP disclosed
CN-114929676-B Heterocyclic carboxylate compounds as glycolate oxidase inhibitors 紫丁香疗法有限公司 2025-04-29 CN disclosed
US-20250064787-A1 Heterocyclic Carboxylate Compounds as Glycolate Oxidase Inhibitors LILAC THERAPEUTICS INC (US) 2025-02-27 US disclosed
US-12168002-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2024-12-17 US disclosed
EP-4470538-A2 HETEROCYCLIC CARBOXYLATE COMPOUNDS AS GLYCOLATE OXIDASE INHIBITORS Lilac Therapeutics, Inc. (US) 2024-12-04 EP disclosed
CN-117946084-A Linear aza D-A type nonlinear optical material, and preparation method and application thereof 浙江工业大学 2024-04-30 CN disclosed
US-20240091200-A1 Heterocyclic Carboxylate Compounds as Glycolate Oxidase Inhibitors Lilac Therapeutics, Inc. 2024-03-21 US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 US disclosed
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2023-11-07 US disclosed
US-20170299530-A1 COMPOUNDS AND METHODS FOR ANALYSIS AND SYNTHESIS OF SACCHARIDE COMPOUNDS, AND METHOD FOR QUANTITATING SACCHARIDE ACADEMIA SINICA (TW) 2017-10-19 US disclosed
WO-2017011531-A2 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-19 WO disclosed
US-20150168415-A1 COMPOUNDS AND METHODS FOR ANALYSIS AND SYNTHESIS OF SACCHARIDE COMPOUNDS ACADEMIA SINICA (TW) 2015-06-18 US disclosed
US-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 US disclosed
EP-2166015-A1 LINCOSAMIDE DERIVATIVE, AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-03-24 EP disclosed
US-5780473-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US disclosed
US-5760038-A Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-02 US disclosed
EP-0725067-A1 Substituted biphenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-07 EP 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-20240091200-A1 Heterocyclic Carboxylate Compounds as Glycolate Oxidase Inhibitors UGDH, PGD, PNPO CYP19A1 1204/4885CYP2D6 375/4885CYP2C9 349/4885
US-11806335-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors UGDH, PGD, PNPO CYP19A1 1204/4885CYP2D6 375/4885CYP2C9 349/4885
US-20150168415-A1 COMPOUNDS AND METHODS FOR ANALYSIS AND SYNTHESIS OF SACCHARIDE COMPOUNDS MPI, GPI, FUT6 CYP19A1 3209/4885CYP2D6 660/4885CYP2C9 1952/4885
US-12168002-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors UGDH, PGD, PNPO CYP19A1 1204/4885CYP2D6 375/4885CYP2C9 349/4885
US-20250064787-A1 Heterocyclic Carboxylate Compounds as Glycolate Oxidase Inhibitors GLS, DUOX1, HAO1 CYP19A1 1689/4885CYP2D6 779/4885CYP2C9 446/4885
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A CYP19A1 3584/4885CYP2D6 816/4885CYP2C9 1226/4885

“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.