SCHEMBL5730841

SCHEMBL5730841

Nc1ccc(F)c(F)c1Br

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
IMPDH2 P12268 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL6666962 0.79 ALDH1A1 (0.39) ALDH1A1IMPDH2HDAC1HDAC6CA12
SCHEMBL2647990 0.79 ALDH1A1 (0.39) ALDH1A1HDAC1HDAC6CA12CA1
SCHEMBL313506 0.77 CES2 (0.36) CES2CES1
SCHEMBL23899705 0.75 ALDH1A1 (0.36) ALDH1A1IMPDH2HDAC1HDAC6CA6
SCHEMBL18152933 0.75 TSHR (0.36) ALDH1A1IMPDH2CA12CA1CA2
SCHEMBL31152966 0.75 CYP3A4 (0.36) ALDH1A1IMPDH2HDAC1HDAC6
SCHEMBL112835 0.75 ALDH1A1 (0.43) ALDH1A1HDAC1HDAC6CA12CA1
SCHEMBL15231722 0.74 ALDH1A1 (0.39) ALDH1A1HDAC1HDAC6CA12CA1
SCHEMBL22366550 0.73 IMPDH2 (0.42) ALDH1A1IMPDH2CA12CA1CA2
Hydrochloric Acid SCHEMBL3032172 0.72 ALDH1A1 (0.42) ALDH1A1HDAC1HDAC6CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688748-A1 QUINOLINONE AMIDE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2026-02-11 EP disclosed
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
US-20260008774-A1 QUINOLINONE AMIDE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS INC (US) 2026-01-08 US disclosed
US-20260001877-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2026-01-01 US disclosed
US-12509431-B2 1,4-dihydroquinazolinone compounds and uses thereof EDGEWISE THERAPEUTICS, INC. (US) 2025-12-30 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-20250368647-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2025-12-04 US disclosed
US-20250361213-A1 1,4-DIHYDROQUINAZOLINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS INC (US) 2025-11-27 US disclosed
US-12448369-B2 Quinolinone amide compounds and uses thereof EDGEWISE THERAPEUTICS, INC. (US) 2025-10-21 US disclosed
EP-4594307-A1 1,4-DIHYDROQUINAZOLINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2025-08-06 EP disclosed
WO-2014023674-A1 PIPERAZINO[1,2-A]INDOL-1-ONES AND [1,4]DIAZEPINO[1,2-A]INDOL-1-ONE F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 WO disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 WO disclosed
EP-1735293-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
US-6716352-B1 TRANSFERRING ACIDIC STRIPPING SOLUTION ACROSS SELECTIVELY PERMEABLE MEMBRANE MEMBRANE EXTRACTION TECHNOLOGY LIMITED (GB) 2004-04-06 US disclosed
EP-1210297-A1 METHOD FOR REMOVING AND RECOVERING AROMATIC AMINES BY USING A NON-POROUS MEMBRANE Membrane extraction Technology Ltd. (GB) 2002-06-05 EP disclosed
WO-2001009042-A1 METHOD FOR REMOVING AND RECOVERING AROMATIC AMINES BY USING A NON-POROUS MEMBRANE MEMBRANE EXTRACTION TECHNOLOGY LIMITED (GB) 2001-02-08 WO disclosed
CN-1037147-A N-cyclopropyl aniline and the application in preparation 1-cyclopropyl quinolone carboxylic acid and its derivative thereof BAYER AG (DE) 1989-11-15 CN disclosed
EP-0332033-A2 N-cyclopropyl anilines and their use in processes for the synthesis of 1-cyclopropyl-quinolone-carboxylic acids and their derivatives BAYER AG (DE) 1989-09-13 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 (7 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-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP ALDH1A1 1971/4885IMPDH2 3162/4885HDAC1 2603/4885
US-12448369-B2 Quinolinone amide compounds and uses thereof TNNI3, TNNT2, COQ8A ALDH1A1 461/4885IMPDH2 2091/4885HDAC1 151/4885
US-20250368647-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN5A ALDH1A1 2933/4885IMPDH2 3783/4885HDAC1 282/4885
US-12509431-B2 1,4-dihydroquinazolinone compounds and uses thereof TNNT2, TNNI3, TNNC1 ALDH1A1 716/4885IMPDH2 2989/4885HDAC1 213/4885
US-20260001877-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN CNR1, SCN1B, OPRL1 ALDH1A1 1503/4885IMPDH2 4344/4885HDAC1 1202/4885
US-20250361213-A1 1,4-DIHYDROQUINAZOLINONE COMPOUNDS AND USES THEREOF TNNI3, TNNT2, SDHA ALDH1A1 780/4885IMPDH2 1083/4885HDAC1 365/4885
US-20260008774-A1 QUINOLINONE AMIDE COMPOUNDS AND USES THEREOF TNNT2, TNNI3, TNNC1 ALDH1A1 1031/4885IMPDH2 3907/4885HDAC1 203/4885

“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.