SCHEMBL6827838

SCHEMBL6827838

O=C(O)c1cc(F)c(F)cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ TTR P02766 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ASPH Q12797 1/20 0.41
▸ KDM8 Q8N371 1/20 0.41
▸ TPMT P51580 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ CES2 O00748 2/20 0.37
▸ CES1 P23141 2/20 0.37
▸ MAP2K1 Q02750 3/20 0.37
▸ MAP2K2 P36507 1/20 0.37
▸ IDO1 P14902 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ ACMSD Q8TDX5 1/20 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
SCHEMBL19866316 0.88 TP53 (0.41) KEAP1NFE2L2TTRKDM4EASPH
SCHEMBL18713921 0.84 KEAP1 (0.44) KEAP1NFE2L2TTRKDM4EASPH
SCHEMBL2371151 0.83 KCNK2 (0.43) KEAP1NFE2L2TTRKDM4EASPH
SCHEMBL16277463 0.83 KEAP1 (0.40) KEAP1NFE2L2TTRKDM4EASPH
SCHEMBL16277410 0.83 KDM4E (0.40) KEAP1NFE2L2TTRKDM4EASPH
SCHEMBL24746193 0.83 TTR (0.41) KEAP1NFE2L2TTRKDM4EASPH
SCHEMBL1685590 0.82 TPMT (0.48) KDM4ETPMTAKR1C2AKR1C1ALDH1A1
SCHEMBL4830274 0.82 KEAP1 (0.54) KEAP1NFE2L2TTRKDM4EASPH
SCHEMBL3870844 0.81 KEAP1 (0.45) KEAP1NFE2L2TTRKDM4EASPH
SCHEMBL34467596 0.79 TPMT (0.46) KDM4ETPMTALDH1A1ALOX15CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396159-A Synthesis method of 2,2' -biphenyl dicarboxylic acid compound 湖南大学 2023-07-07 — — CN claimed
WO-2025224759-A1 INDANOL SUBSTITUTED DIAMINO PYRIMIDINE CARBOXAMIDES AS DUAL ATM/DNA-PK INHIBITORS BUGWORKS RESEARCH INDIA PVT. LTD (IN) 2025-10-30 — — WO disclosed
EP-4626427-A1 COMBINATIONS COMPRISING A MENIN-MLL INHIBITOR AND A BCL-2 INHIBITOR Janssen Pharmaceutica NV (BE) 2025-10-08 — — EP disclosed
EP-4626426-A1 COMBINATIONS COMPRISING A MENIN-MLL INHIBITOR AND AT LEAST ONE OTHER THERAPEUTIC AGENT JANSSEN Pharmaceutica NV (BE) 2025-10-08 — — EP disclosed
US-20250302840-A1 COMBINATION THERAPIES JANSSEN-CILAG (FR) 2025-10-02 — — US disclosed
CN-119143691-B Thiadiazole derivative and preparation method and application thereof 山东大学日照研究院 2025-06-24 — — CN disclosed
US-20250114374-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2025-04-10 — — US disclosed
CN-119143691-A Thiadiazole derivative and preparation method and application thereof 山东大学日照研究院 2024-12-17 — — CN disclosed
US-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer ATLASMEDX, INC. (US) 2024-11-19 — — US disclosed
CN-118910629-A Electrochemical synthesis method of quinazolinone derivative 齐齐哈尔医学院 2024-11-08 — — CN disclosed
US-9499517-B2 Substituted prolines / piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2016-11-22 — — US disclosed
US-9440982-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2016-09-13 — — US disclosed
WO-2015123355-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. (US) 2015-08-20 — — WO disclosed
US-20140364432-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 — — US disclosed
US-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 — — US disclosed
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 — — WO disclosed
EP-0370686-B1 A process for preparing quinolone carboxylic acid intermediates PFIZER (US) 1993-12-29 — — EP disclosed
US-5064958-A CHEMICAL INTERMEDIATES FOR ANTIBACTERIAL COMPOUNDS PFIZER INC. (US) 1991-11-12 — — US disclosed
US-4939290-A Bactericides PFIZER INC. (US) 1990-07-03 — — US disclosed
EP-0370686-A2 A process for preparing quinolone carboxylic acid intermediates PFIZER INC. (US) 1990-05-30 — — 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 (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-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 KEAP1 2754/4885NFE2L2 1507/4885TTR 4444/4885
US-20250114374-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L10 KEAP1 1099/4885NFE2L2 326/4885TTR 3630/4885
US-20250302840-A1 COMBINATION THERAPIES MEN1, MLLT1, BMI1 KEAP1 1091/4885NFE2L2 1209/4885TTR 1858/4885
US-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 KEAP1 486/4885NFE2L2 146/4885TTR 4549/4885
US-20140364432-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 KEAP1 2754/4885NFE2L2 1507/4885TTR 4444/4885

“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.

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