SCHEMBL57107

SCHEMBL57107

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 6/20 0.47
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 1/20 0.45
GRIA1 P42261 2/20 0.45
GRIA2 P42262 2/20 0.45
GRIA3 P42263 2/20 0.45
GRIA4 P48058 2/20 0.45
GRM6 O15303 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX15 P16050 1/20 0.45
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44
MEN1 O00255 3/20 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
SCHEMBL31200186 1.00 VCAM1 (0.47) VCAM1TDP1ATMMAPTALDH1A1
Potassium Ion SCHEMBL5158030 0.96 VCAM1 (0.45) VCAM1TDP1ATMMAPTALDH1A1
SCHEMBL4614436 0.92 VCAM1 (0.47) VCAM1TDP1ATMMAPTALDH1A1
Alcohol SCHEMBL28027621 0.90 TDP1 (0.42) VCAM1TDP1ATMMAPTALDH1A1
SCHEMBL1725293 0.84 VCAM1 (0.51) VCAM1TDP1MAPTALDH1A1HTT
SCHEMBL17304026 0.84 GRIA1 (0.45) VCAM1TDP1ATMMAPTALDH1A1
SCHEMBL2870229 0.84 VCAM1 (0.44) VCAM1TDP1ATMMAPTALDH1A1
SCHEMBL458453 0.84 VCAM1 (0.44) VCAM1TDP1MAPTALDH1A1HTT
SCHEMBL2241912 0.84 VCAM1 (0.44) VCAM1TDP1MAPTALDH1A1HTT
SCHEMBL1291838 0.84 VCAM1 (0.51) VCAM1TDP1ATMMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035364-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2026-02-05 US disclosed
US-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 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
US-20250206757-A1 5,8-DIHYDRO-1,7-NAPHTHYRIDINE DERIVATIVES AS GLP-1 AGONISTS FOR THE TREATMENT OF DIABETES GASHERBRUM BIO, INC. 2025-06-26 US disclosed
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-06-05 US disclosed
CN-120025279-A Compounds capable of modulating endoplasmic reticulum aminopeptidase 1 格雷沃尔夫治疗有限公司 2025-05-23 CN disclosed
CN-119954709-A Preparation method of sulfoxide compound, aniline compound and preparation method of aniline compound 帕潘纳(北京)科技有限公司 2025-05-09 CN disclosed
CN-119698413-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-25 CN disclosed
CN-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 CN disclosed
US-6399751-B1 REACTION PRODUCT BASF AKTIENGESELLSCHAFT (DE) 2002-06-04 US disclosed
EP-0784054-B1 1,2,3,4-TETRAHYDROQUINOXALINEDIONE DERIVATIVES AND USE AS GLUTAMATE RECEPTOR ANTAGONISTS YAMANOUCHI PHARMA CO LTD (JP) 2001-11-28 EP disclosed
US-6150379-A BLOOD COAGULATION FACTOR XA INHIBITORS; TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE ACTIVITY; THROMBOLYTIC AND ISCHEMIC AGENTS; E.G., 2-(6-(5-AMIDINO-1H-BENZIMIDAZOL-2-YL)-PYRID-3-YLCARBONYLAMINO)-3 -HYDROXYBUTYRIC ACID AXYS PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-6096743-A 1,2,3,4-tetrahydroquinoxalinedione derivative YAMANOUCHI PHARMACEUTICALS CO., LTD. (JP) 2000-08-01 US disclosed
WO-1999026941-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed
EP-0784054-A1 1,2,3,4-TETRAHYDROQUINOXALINEDIONE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-16 EP 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
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

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-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 VCAM1 4096/4885TDP1 1179/4885ATM 1077/4885
US-12479807-B2 Methods using HDAC11 inhibitors HDAC11, HDAC1, HDAC10 VCAM1 1249/4885TDP1 652/4885ATM 2808/4885
US-20250206757-A1 5,8-DIHYDRO-1,7-NAPHTHYRIDINE DERIVATIVES AS GLP-1 AGONISTS FOR THE TREATMENT OF DIABETES GLP1R, IAPP, GPR119 VCAM1 745/4885TDP1 1552/4885ATM 4457/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR VCAM1 4004/4885TDP1 1403/4885ATM 991/4885
US-20260035364-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES SCN1B, SCN2B, SCN11A VCAM1 3618/4885TDP1 3510/4885ATM 4590/4885

“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.