SCHEMBL103458

SCHEMBL103458

CNc1ccc(F)cc1N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.50
PRKCI P41743 1/20 0.50
HDAC3 O15379 9/20 0.45
NCOR2 Q9Y618 4/20 0.45
HDAC2 Q92769 3/20 0.45
ALDH1A1 P00352 2/20 0.44
HDAC8 Q9BY41 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK14 Q16539 1/20 0.37
IKBKB O14920 1/20 0.37
KEAP1 Q14145 1/20 0.36

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
SCHEMBL30467423 1.00 HDAC1 (0.50) HDAC1PRKCIHDAC3NCOR2HDAC2
Hydrochloric Acid SCHEMBL8847660 0.98 HDAC1 (0.49) HDAC1PRKCIHDAC3NCOR2HDAC2
Phosphonic Acid SCHEMBL27284845 0.89 HDAC1 (0.50) HDAC1PRKCIHDAC3NCOR2HDAC2
SCHEMBL20495124 0.84 PRKCI (0.44) HDAC1PRKCIHDAC3HDAC2IKBKB
SCHEMBL29464092 0.82 ALDH1A1 (0.50) HDAC1PRKCIHDAC3NCOR2HDAC2
SCHEMBL5513056 0.82 ALDH1A1 (0.50) HDAC1PRKCIHDAC3NCOR2HDAC2
SCHEMBL27373920 0.80 HDAC1 (0.40) HDAC1PRKCIHDAC3NCOR2HDAC2
SCHEMBL5510041 0.78 ALDH1A1 (0.39) HDAC1ALDH1A1IKBKB
SCHEMBL28561624 0.77 HDAC1 (0.50) HDAC1HDAC3NCOR2HDAC2ALDH1A1
SCHEMBL18155486 0.77 HDAC1 (0.55) HDAC1HDAC3NCOR2HDAC2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976604-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2026-01-21 EP disclosed
EP-4634175-A1 BENZIMIDAZOLE DERIVATIVES Immvention Therapeutix, Inc. (US) 2025-10-22 EP disclosed
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP disclosed
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC., 2025-01-09 US disclosed
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2024-11-26 US disclosed
WO-2024130173-A1 BENZIMIDAZOLE DERIVATIVES IMMVENTION THERAPEUTIX (US) 2024-06-20 WO disclosed
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
US-20230092890-A1 1, 3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORPORATION (KR) 2023-03-23 US disclosed
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
WO-2006032627-A1 HETEROARYL COMPOUNDS FOR USE AS BETAMIMETICS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-30 WO disclosed
US-20060063817-A1 New betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-23 US disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
WO-2005067932-A1 (3-OXO-3, 4-DIHYDRO-QUINOXALIN-2-YL-AMINO) -BENZAMIDE DERIVATIVES AND RELATED COMPOUND AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-28 WO disclosed
US-20050148586-A1 Quinoxalinones JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-07 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 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 (8 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-20060063817-A1 New betamimetics for the treatment of respiratory complaints CHRM1, ADRB1, ADRA1B HDAC1 4529/4885PRKCI 2828/4885HDAC3 4608/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 HDAC1 417/4885PRKCI 2098/4885HDAC3 1276/4885
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 HDAC1 417/4885PRKCI 2098/4885HDAC3 1276/4885
US-20230092890-A1 1, 3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same HDAC6, HDAC1, HDAC2 HDAC1 2/4885PRKCI 2990/4885HDAC3 4/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 HDAC1 1111/4885PRKCI 2334/4885HDAC3 728/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 HDAC1 417/4885PRKCI 2098/4885HDAC3 1276/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 HDAC1 523/4885PRKCI 3618/4885HDAC3 581/4885
US-20050148586-A1 Quinoxalinones SLC5A2, GPR119, GLS2 HDAC1 2767/4885PRKCI 3365/4885HDAC3 891/4885

“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.