SCHEMBL1857404

SCHEMBL1857404

O=c1[nH]cc(Br)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.50
ERCC4 Q92889 1/20 0.50
ALDH1A1 P00352 5/20 0.35
HCAR1 Q9BXC0 1/20 0.34
GAA P10253 3/20 0.33
GLA P06280 3/20 0.33
KDM1A O60341 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
CREBBP Q92793 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
PARP1 P09874 1/20 0.32
BACE1 P56817 1/20 0.31
NOTUM Q6P988 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
SCHEMBL6221025 0.76 ERCC1 (0.52) ERCC1ERCC4ALDH1A1GLAHPGD
SCHEMBL16244630 0.75 KDM1A (0.33) ERCC1ERCC4KDM1A
SCHEMBL25044537 0.75 DAO (0.50) ERCC1ERCC4ALDH1A1HCAR1GAA
SCHEMBL2995837 0.75 PKM (0.54) ALDH1A1GAAGLAKDM4EHPGD
SCHEMBL14407007 0.75 DAO (0.50) ALDH1A1GAAGLAKDM4EHPGD
SCHEMBL28174271 0.72 PARP1 (0.33) ALDH1A1GAAGLAKDM4EHPGD
SCHEMBL23048401 0.72 GRIA1 (0.39) ALDH1A1GAAGLAKDM4EHPGD
SCHEMBL15829213 0.72 ALDH1A1 (0.39) ALDH1A1GAAGLAKDM4EHPGD
SCHEMBL19806010 0.71
SCHEMBL31274939 0.71 NT5E (0.35) ERCC1ERCC4ALDH1A1GAAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109686-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS AZKARRA THERAPEUTICS, INC. (US) 2026-04-23 US disclosed
US-20250320196-A1 APOL1 INHIBITORS AND METHODS OF USES THEREOF MAZE THERAPEUTICS INC (US) 2025-10-16 US disclosed
EP-4608821-A1 PHARMACEUTICAL COMPOUNDS AS PARP7 AND/OR PARP1 INHIBITORS Duke Street Bio Limited (GB) 2025-09-03 EP disclosed
EP-4594314-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS Azkarra Therapeutics, Inc. (US) 2025-08-06 EP disclosed
WO-2025119372-A2 MRGPRX2 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2025-06-12 WO disclosed
CN-120118069-A MRGPRX2 antagonists and uses 武汉人福创新药物研发中心有限公司 2025-06-10 CN disclosed
CN-119968364-A Pyridazin-3 (2H) -one and pyridin-2 (1H) -one PARP inhibitor compounds 阿兹卡拉疗法公司 2025-05-09 CN disclosed
WO-2025045246-A1 PARP7 INHIBITOR AND USE THEREOF 重庆华森英诺生物科技有限公司 2025-03-06 WO disclosed
CN-119330972-A PARP7 inhibitor and application thereof 重庆华森英诺生物科技有限公司 2025-01-21 CN disclosed
US-20240425481-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2024-12-26 US disclosed
EP-2547662-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS Glaxo Group Limited (GB) 2013-01-23 EP disclosed
US-20130012491-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2013-01-10 US disclosed
WO-2012139775-A1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORGAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2012-10-18 WO disclosed
WO-2011113309-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-09-22 WO disclosed
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
EP-0984961-B1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
US-6143751-A Pyridine derivatives and pharmaceutical compositions containing them ASTRAZENECA UK LIMITED (GB) 2000-11-07 US disclosed
CN-1258296-A Pyridine derivatives and pharmaceutical compositions containing them ASTRA PHARMA PROD (GB) 2000-06-28 CN 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 ERCC1 4881/4885ERCC4 4885/4885ALDH1A1 2005/4885
US-20250320196-A1 APOL1 INHIBITORS AND METHODS OF USES THEREOF APOL1, APOB, LDLR ERCC1 3887/4885ERCC4 4120/4885ALDH1A1 1201/4885
US-20260109686-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS PARP2, PARP1, PARP11 ERCC1 106/4885ERCC4 130/4885ALDH1A1 1213/4885
US-20130012491-A1 PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 ERCC1 3438/4885ERCC4 4147/4885ALDH1A1 3412/4885
US-20240425481-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD3, BRDT, BRD4 ERCC1 1372/4885ERCC4 603/4885ALDH1A1 1795/4885

“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.