SCHEMBL2698568

SCHEMBL2698568

O=[N+]([O-])c1cc(C(F)F)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HIF1A Q16665 2/20 0.58
VCAM1 P19320 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.47
CA1 P00915 1/20 0.46
MMP2 P08253 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GRM8 O00222 1/20 0.45
GRM6 O15303 1/20 0.45
GRM4 Q14833 1/20 0.45
LMNA P02545 5/20 0.43
HTT P42858 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
MITF O75030 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL30155394 1.00 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL12868652 0.87 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL16654006 0.84 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL27734066 0.84 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL2340870 0.84 EPAS1 (0.56) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL16950918 0.84 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL28597192 0.81 ALDH1A1 (0.50) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL257444 0.81 VCAM1 (0.51) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL7981057 0.81 GRM8 (0.52) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1
SCHEMBL10347723 0.81 ALDH1A1 (0.50) ALDH1A1HIF1AVCAM1SMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026090300-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2026-04-30 WO disclosed
WO-2026090317-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2026-04-30 WO disclosed
WO-2026090330-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2026-04-30 WO disclosed
EP-4698544-A1 COMPOUNDS AND USES THEREOF Foghorn Therapeutics Inc. (US) 2026-02-25 EP disclosed
US-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 US disclosed
EP-3500257-B1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2025-07-02 EP disclosed
WO-2025106383-A1 PYRROLIDINYL DERIVATIVES USEFUL AS HCN1/HCN 2 MODULATORS MERCK SHARP & DOHME LLC (US) 2025-05-22 WO disclosed
WO-2025037871-A1 TRICYCLIC COMPOUND AND USE THEREOF AS MAT2A INHIBITOR 에스케이바이오팜 주식회사 2025-02-20 WO disclosed
WO-2024220946-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2024-10-24 WO disclosed
WO-2024220891-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2024-10-24 WO disclosed
WO-2018035346-A1 KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER ICHAN SCHOOL OF MEDICINE AT MOUNT SINAL (US) 2018-02-22 WO disclosed
US-8519149-B2 Tricyclic compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US disclosed
WO-2012055995-A1 TRICYCLIC COMPOUNDS AS MPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2012-05-03 WO disclosed
US-20120108583-A1 Tricyclic Compounds As mPGES-1 Inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2012-05-03 US disclosed
CN-101012174-A Halogenating agents MITSUI CHEMICALS INC (JP) 2007-08-08 CN disclosed
CN-1202086-C Halogenating agents MITSUI CHEMICAL CO LTD (JP) 2005-05-18 CN disclosed
US-4172831-A CENTRAL NERVOUS SYSTEM LILLY INDUSTRIES LIMITED (GB) 1979-10-30 US disclosed
US-4115574-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-4115568-A CNS ACTIVITY LILLY INDUSTRIES LIMITED (GB) 1978-09-19 US disclosed
US-3984488-A Dinitration of nitrobenzotrifluoride AIR PRODUCTS AND CHEMICALS, INC. (US) 1976-10-05 US 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 (2 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-20120108583-A1 Tricyclic Compounds As mPGES-1 Inhibitors PTGES, PTGS1, PTGIS ALDH1A1 263/4885HIF1A 2178/4885VCAM1 2826/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR ALDH1A1 276/4885HIF1A 1635/4885VCAM1 4004/4885

“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.