SCHEMBL112218

SCHEMBL112218

Cc1c(Br)ccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ACHE P22303 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
SCHEMBL29918982 1.00 HDAC4 (0.36) HDAC4CES2CES1ALDH1A1ACHE
SCHEMBL2329832 0.81 ALDH1A1 (0.32) ALDH1A1ACHE
SCHEMBL29449513 0.81 ALDH1A1 (0.32) ALDH1A1ACHE
SCHEMBL21996002 0.80 TNF (0.33)
SCHEMBL31567045 0.80 TNF (0.33)
SCHEMBL584965 0.79 KDM1A (0.33) ALDH1A1ACHE
SCHEMBL29620414 0.79 ALDH1A1 (0.31) ALDH1A1ACHE
SCHEMBL29636024 0.79 KDM1A (0.33) ALDH1A1ACHE
SCHEMBL10871807 0.79 ALDH1A1 (0.31) ALDH1A1ACHE
SCHEMBL5733860 0.79 ALDH1A1 (0.36) HDAC4ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122059801-A Synthesis method of Marbalol Sha Wei side chain intermediate 重庆圣华曦药业股份有限公司 2026-05-19 CN claimed
CN-117049938-B Preparation method of 6-bromo-2, 3-difluorotoluene 山东轩德医药科技有限公司 2024-06-14 CN claimed
CN-117049938-A Preparation method of 6-bromo-2, 3-difluorotoluene 山东轩德医药科技有限公司 2023-11-14 CN claimed
CN-115677656-A Preparation method of baroxavir key intermediate 南通常佑药业科技有限公司 2023-02-03 CN claimed
CN-122059801-A Synthesis method of Marbalol Sha Wei side chain intermediate 重庆圣华曦药业股份有限公司 2026-05-19 CN disclosed
EP-4724438-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING Remix Therapeutics Inc. (US) 2026-04-15 EP disclosed
EP-4699607-A2 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2026-02-25 EP disclosed
US-20260001877-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2026-01-01 US disclosed
WO-2025264645-A1 SODIUM CHANNEL BLOCKING COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2025-12-26 WO disclosed
US-20250353836-A1 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2025-11-20 US disclosed
EP-4347031-B1 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2025-10-29 EP disclosed
US-12441703-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-10-14 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed
EP-1514864-B1 Difluoralkyl aromatic compounds SALTIGO GMBH (DE) 2008-03-19 EP disclosed
EP-1514864-A2 Difluoralkyl aromatic compounds Bayer Chemicals AG (DE) 2005-03-16 EP disclosed
US-20050054733-A1 Difluoroalkylaromatics LANXESS DEUTSCHLAND GMBH (DE) 2005-03-10 US 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-20260001877-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN CNR1, SCN1B, OPRL1 HDAC4 2101/4885CES2 531/4885CES1 547/4885
US-12441703-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A HDAC4 333/4885CES2 789/4885CES1 1445/4885
US-20050054733-A1 Difluoroalkylaromatics NQO1, TYR, FLI1 HDAC4 1441/4885CES2 141/4885CES1 961/4885
US-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P HDAC4 1014/4885CES2 2105/4885CES1 1403/4885
US-20250353836-A1 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS TRPV1, SCN2A, SCN2B HDAC4 506/4885CES2 671/4885CES1 2091/4885

“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.