SCHEMBL1045113

SCHEMBL1045113

O=C(O)c1cc(I)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ASPH Q12797 1/20 0.44
KDM8 Q8N371 1/20 0.44
TP53 P04637 1/20 0.41
TTR P02766 1/20 0.40
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 1/20 0.39
TPMT P51580 1/20 0.38
ALB P02768 1/20 0.38
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
MAP2K1 Q02750 3/20 0.36
MAP2K2 P36507 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
PRKAB2 O43741 2/20 0.34
PRKAG1 P54619 2/20 0.34
PRKAA2 P54646 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34

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
Hydrochloric Acid SCHEMBL17536154 0.98 KDM4E (0.42) KDM4EASPHKDM8TP53TTR
SCHEMBL18713921 0.91 KEAP1 (0.44) KDM4EASPHKDM8TP53TTR
SCHEMBL3870844 0.88 KEAP1 (0.45) KDM4EASPHKDM8TP53TTR
SCHEMBL19866316 0.86 TP53 (0.41) KDM4EASPHKDM8TP53TTR
SCHEMBL5872835 0.83 KDM4E (0.52) KDM4EASPHKDM8TTRKEAP1
SCHEMBL7941319 0.83 TTR (0.41) KDM4EASPHKDM8TP53TTR
SCHEMBL7082885 0.81 KEAP1 (0.44) KDM4EASPHKDM8TP53TTR
SCHEMBL15543847 0.81 TTR (0.40) KDM4EASPHKDM8TP53TTR
SCHEMBL10193922 0.81 LCK (0.44) KDM4EASPHKDM8TP53TTR
SCHEMBL3321387 0.81 KEAP1 (0.50) KDM4EASPHKDM8TP53TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008195-A Preparation method of 2,4-difluoro-5-iodobenzoic acid 绍兴文理学院 2016-10-12 CN claimed
US-20250091995-A1 STABLE CRYSTAL OF 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC. (JP) 2025-03-20 US disclosed
EP-4299563-A2 COMBINATION COMPRISING A STABLE CRYSTAL OF A 4-OXOQUINOLINE COMPOUND Japan Tobacco Inc. (JP) 2024-01-03 EP disclosed
EP-3281939-B1 COMBINATION COMPRISING A STABLE CRYSTAL OF A 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC (JP) 2023-10-18 EP disclosed
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 US disclosed
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 US disclosed
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 US disclosed
EP-4059923-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco Inc. (JP) 2022-09-21 EP disclosed
US-20220235009-A1 STABLE CRYSTAL OF 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC. (JP) 2022-07-28 US disclosed
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-20060030710-A1 Stable crystal of 4-oxoquinoline compound SHIONOGI & CO., LTD. (JP) 2006-02-09 US disclosed
US-20060019906-A1 Novel 4-oxoquinoline compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-01-26 US disclosed
US-20050288326-A1 Combination therapy SHIONOGI & CO., LTD. (JP) 2005-12-29 US disclosed
WO-2005113508-A1 STABLE CRYSTAL OF 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC. (JP) 2005-12-01 WO disclosed
WO-2005113509-A1 NOVEL 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-12-01 WO disclosed
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors SHIONOGI & CO., LTD. (JP) 2005-10-27 US disclosed
EP-1564210-A1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC. (JP) 2005-08-17 EP disclosed
EP-0721441-B1 HALOGENATION REACTIONS F2 CHEMICALS LTD (GB) 2001-04-04 EP disclosed
US-5734073-A Halogenation reactions BNFL FLUOROCHEMICALS LTD (GB) 1998-03-31 US disclosed
WO-1996003356-A1 HALOGENATION REACTIONS BNFL FLUOROCHEMICALS LTD. (GB) 1996-02-08 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 (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-20050288326-A1 Combination therapy TYMP, TPMT, PNP KDM4E 388/4885ASPH 887/4885KDM8 206/4885
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR KDM4E 253/4885ASPH 2160/4885KDM8 1602/4885
US-20250091995-A1 STABLE CRYSTAL OF 4-OXOQUINOLINE COMPOUND KCNQ2, KCNQ1, KCNQ5 KDM4E 131/4885ASPH 3948/4885KDM8 3435/4885
US-20220235009-A1 STABLE CRYSTAL OF 4-OXOQUINOLINE COMPOUND GRIN2D, KCNQ2, RCC1 KDM4E 269/4885ASPH 4227/4885KDM8 3781/4885
US-20060019906-A1 Novel 4-oxoquinoline compound and use thereof as HIV integrase inhibitor IMPDH1, PIP4K2B, IMPDH2 KDM4E 188/4885ASPH 2473/4885KDM8 1318/4885
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, IMPDH2, DNTT KDM4E 92/4885ASPH 1464/4885KDM8 375/4885
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors IMPDH1, IMPDH2, TYMP KDM4E 187/4885ASPH 932/4885KDM8 387/4885
US-20060030710-A1 Stable crystal of 4-oxoquinoline compound KCNQ2, RCC1, SFPQ KDM4E 248/4885ASPH 4109/4885KDM8 3732/4885

“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.