SCHEMBL458453

SCHEMBL458453

N#Cc1cc([N+](=O)[O-])c(N)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.44
MAPT P10636 6/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 5/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
GRIA1 P42261 2/20 0.41
GRIA2 P42262 2/20 0.41
GRIA3 P42263 2/20 0.41
GRIA4 P48058 2/20 0.41
CYP1A2 P05177 2/20 0.41
GRM6 O15303 1/20 0.41
XDH P47989 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL17538471 0.86 VCAM1 (0.44) VCAM1MAPTALDH1A1HTTTDP1
SCHEMBL19606264 0.85 MAPT (0.50) VCAM1MAPTALDH1A1HTTTDP1
SCHEMBL31200186 0.84 VCAM1 (0.47) VCAM1MAPTALDH1A1HTTTDP1
SCHEMBL57107 0.84 VCAM1 (0.47) VCAM1MAPTALDH1A1HTTTDP1
Potassium Ion SCHEMBL5158030 0.81 VCAM1 (0.45) VCAM1MAPTALDH1A1HTTTDP1
Acetonitrile SCHEMBL9863169 0.81 TDP1 (0.47) VCAM1MAPTALDH1A1TDP1POLB
SCHEMBL4614436 0.80 VCAM1 (0.47) VCAM1MAPTALDH1A1HTTTDP1
SCHEMBL23524821 0.79 GRIA1 (0.45) VCAM1MAPTALDH1A1HTTTDP1
SCHEMBL22031625 0.79 ALDH1A1 (0.45) VCAM1MAPTALDH1A1HTTTDP1
SCHEMBL2241912 0.79 VCAM1 (0.44) VCAM1MAPTALDH1A1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260042747-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF ALIVEXIS, INC. (JP) 2026-02-12 US disclosed
US-12479807-B2 Methods using HDAC11 inhibitors VALO HEALTH, INC. (US) 2025-11-25 US disclosed
EP-4638420-A1 COMPOUNDS THAT INHIBIT PKMYT1 Exelixis, Inc. (US) 2025-10-29 EP disclosed
EP-4565575-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Alivexis, Inc. (JP) 2025-06-11 EP disclosed
CN-119866333-A KIT inhibitors, compounds, pharmaceutical compositions, and methods of use thereof 亚力维克希斯股份有限公司 2025-04-22 CN disclosed
WO-2024137671-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-06-27 WO disclosed
CN-113166156-B Tyrosine kinase inhibitors, compositions and methods 贝达药业股份有限公司 2024-02-27 CN disclosed
WO-2024029489-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MODULUS DISCOVERY, INC. (JP) 2024-02-08 WO disclosed
US-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS S-Infinity Pharmaceuticals (CN) 2024-01-18 US disclosed
US-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS S-Infinity Pharmaceuticals (CN) 2024-01-18 US disclosed
EP-0556393-B1 FUSED PYRAZINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 2000-07-26 EP disclosed
WO-1999026941-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed
CN-1041931-C [1,2,4]triazolo[4,3-a]quinoxaline compounds, their preparation and use NOVO NORDISK AS (DK) 1999-02-03 CN disclosed
EP-0698024-B1 [1,2,4]TRIAZOLO [4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-01-22 EP disclosed
US-5532236-A TREATMENT OF PARKINSON'S DISEASE NOVO NORDISK A/S (DK) 1996-07-02 US disclosed
CN-1125446-A [1,2,4]triazolo[4,3-a]quinoxaline compounds, their preparation and use NOVO NORDISK AS (DK) 1996-06-26 CN disclosed
EP-0698024-A1 1,2,4]TRIAZOLO 4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-02-28 EP disclosed
WO-1994026746-A1 [1,2,4]TRIAZOLO[4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-11-24 WO disclosed
US-5283244-A Anticonvulsants, nervous system disorders YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-02-01 US disclosed
EP-0556393-A1 FUSED PYRAZINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-08-25 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 (3 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-12479807-B2 Methods using HDAC11 inhibitors HDAC11, HDAC1, HDAC10 VCAM1 1249/4885MAPT 2537/4885ALDH1A1 1030/4885
US-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS FLI1, MCL1, SP1 VCAM1 217/4885MAPT 4351/4885ALDH1A1 312/4885
US-20260042747-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KIT, LTK, HRH3 VCAM1 923/4885MAPT 4268/4885ALDH1A1 1295/4885

“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.