SCHEMBL3060388

SCHEMBL3060388

O=[N+]([O-])c1cnc(C(F)(F)F)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
HIF1A Q16665 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
TTR P02766 2/20 0.38
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL16346746 0.86 CA12 (0.45) GPR35ALDH1A1HPGDALOX15TSHR
SCHEMBL3061406 0.81 ALDH1A1 (0.49) ALDH1A1HPGDALOX15TSHRHIF1A
SCHEMBL30515386 0.81 ALDH1A1 (0.49) ALDH1A1HPGDALOX15TSHRHIF1A
SCHEMBL3059793 0.79 ALDH1A1 (0.47) ALDH1A1HPGDALOX15TSHRHIF1A
SCHEMBL1506607 0.79 ALDH1A1 (0.46) GPR35ALDH1A1HPGDALOX15TSHR
SCHEMBL29722045 0.79 ALDH1A1 (0.46) GPR35ALDH1A1HPGDALOX15TSHR
SCHEMBL21625482 0.76 ALDH1A1 (0.35) ALDH1A1HPGDALOX15TSHRHIF1A
SCHEMBL17504828 0.76 ALDH1A1 (0.40) ALDH1A1HPGDALOX15TSHRHIF1A
SCHEMBL22907410 0.76 ALDH1A1 (0.40) ALDH1A1HPGDALOX15TSHRHIF1A
SCHEMBL1958991 0.76 GPR35 (0.47) GPR35ALDH1A1HPGDALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092063-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF JAZZ PHARMACEUTICALS IRELAND LTD (IE) 2026-04-02 US disclosed
US-12421222-B2 Substituted quinazolines as HDAC6 inhibitors AUGUSTINE THERAPEUTICS (BE) 2025-09-23 US disclosed
US-12304912-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2025-05-20 US disclosed
US-20250145604-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2025-05-08 US disclosed
CN-119742448-A High-voltage additive for lithium battery electrolyte, electrolyte and lithium ion battery 中国科学院宁波材料技术与工程研究所 2025-04-01 CN disclosed
US-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2025-02-13 US disclosed
EP-4452265-A2 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS Augustine Therapeutics (BE) 2024-10-30 EP disclosed
CN-118591375-A Compounds as HDAC6 inhibitors and uses thereof 奥古斯汀治疗公司 2024-09-03 CN disclosed
US-20240124452-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2024-04-18 US disclosed
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 US disclosed
US-7642267-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2010-01-05 US disclosed
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2008-09-18 US disclosed
US-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 US disclosed
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 EP disclosed
US-6916819-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2005-07-12 US disclosed
CN-1553909-A Benzimidazole and pyridylimidazole derivatives as ligands for GABA receptors 2004-12-08 CN disclosed
EP-1368342-A2 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORPORATION (US) 2003-12-10 EP disclosed
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2003-04-10 US disclosed
WO-2002050062-A2 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORPORATION (US) 2002-06-27 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 (10 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-12304912-B2 Fused bicyclic RAF inhibitors and methods for use thereof BRAF, RAF1, NRAS GPR35 4190/4885ALDH1A1 2065/4885HPGD 3558/4885
US-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS HDAC6, HDAC9, HDAC1 GPR35 3014/4885ALDH1A1 608/4885HPGD 3278/4885
US-20080227793-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 GPR35 222/4885ALDH1A1 470/4885HPGD 2261/4885
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 GPR35 222/4885ALDH1A1 470/4885HPGD 2261/4885
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof BRAF, RAF1, NRAS GPR35 4190/4885ALDH1A1 2065/4885HPGD 3558/4885
US-20250145604-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS HDAC6, HDAC9, HDAC1 GPR35 3014/4885ALDH1A1 608/4885HPGD 3278/4885
US-12421222-B2 Substituted quinazolines as HDAC6 inhibitors HDAC6, HDAC9, HDAC1 GPR35 3011/4885ALDH1A1 850/4885HPGD 3281/4885
US-20240124452-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF BRAF, RAF1, NRAS GPR35 4190/4885ALDH1A1 2065/4885HPGD 3558/4885
US-20260092063-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF BRAF, NRAS, RAF1 GPR35 3864/4885ALDH1A1 2381/4885HPGD 3934/4885
US-20030069257-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABRA1, GABBR2 GPR35 331/4885ALDH1A1 220/4885HPGD 2530/4885

“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.