SCHEMBL2303201

SCHEMBL2303201

N#Cc1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.74
XDH P47989 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 1/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7090977 0.86 VCAM1 (0.91) VCAM1XDHCYP19A1GRIN2DGRIN3B
SCHEMBL1005421 0.86 VCAM1 (1.00) VCAM1XDHCYP19A1GRIN2DGRIN3B
SCHEMBL25409187 0.82 VCAM1 (0.59) VCAM1MEN1KMT2A
SCHEMBL30508469 0.82 VCAM1 (0.59) VCAM1MEN1KMT2A
SCHEMBL27088384 0.81 VCAM1 (0.47) VCAM1MEN1KMT2ACYP19A1TSHR
Acetonitrile SCHEMBL27788615 0.80 VCAM1 (0.88) VCAM1XDHMEN1KMT2ACYP19A1
SCHEMBL7203812 0.79 CYP19A1 (0.62) VCAM1MEN1KMT2ACYP19A1TSHR
SCHEMBL1172437 0.79 CYP19A1 (0.55) VCAM1MEN1KMT2ACYP19A1TSHR
SCHEMBL1344128 0.77 VCAM1 (0.74) VCAM1XDHMEN1KMT2ACYP19A1
SCHEMBL3771130 0.77 VCAM1 (0.74) VCAM1XDHCYP19A1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349018-B Process for fluorinating inorganic or organic compounds by direct fluorination 福建永晶科技股份有限公司 2024-04-16 CN disclosed
CN-117209472-A KIF18A inhibitors 武汉人福创新药物研发中心有限公司 2023-12-12 CN disclosed
US-11795138-B2 Process of fluorinating inorganic compounds by direct fluorination Fujian Yongjing Technology Co.,Ltd (CN) 2023-10-24 US disclosed
US-11795138-B2 Process of fluorinating inorganic compounds by direct fluorination Fujian Yongjing Technology Co.,Ltd (CN) 2023-10-24 US disclosed
US-11795138-B2 Process of fluorinating inorganic compounds by direct fluorination Fujian Yongjing Technology Co.,Ltd (CN) 2023-10-24 US disclosed
CN-116903589-A KIF18A inhibitor and application thereof 武汉人福创新药物研发中心有限公司 2023-10-20 CN disclosed
US-11447446-B2 Process of fluorinating inorganic or organic compounds by direct fluorination FUJIAN YONGJING TECHNOLOGY CO., LTD (CN) 2022-09-20 US disclosed
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2022-06-16 US disclosed
US-20220135516-A1 Process of Fluorinating Inorganic Compounds by Direct Fluorination Fujian Yongjing Technology Co.,Ltd (CN) 2022-05-05 US disclosed
US-20220135516-A1 Process of Fluorinating Inorganic Compounds by Direct Fluorination Fujian Yongjing Technology Co.,Ltd (CN) 2022-05-05 US disclosed
WO-2007070626-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO disclosed
EP-1713791-A1 5-FLUORO-, CHLORO- AND CYANO-PYRIDIN-2-YL-TETRAZOLES AS LIGANDS OF THE METABOTROPIC GLUTAMATE RECEPTOR-5 AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 WO disclosed
WO-2005066155-A1 5-FLUORO-, CHLORO- AND CYANO-PYRIDIN-2-YL-TETRAZOLES AS LIGANDS OF THE METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRAZENECA AB (SE) 2005-07-21 WO disclosed
US-6552018-B1 As antitumor agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-22 US disclosed
CN-1105707-C Pyrazole derivative DAIICHI SEIYAKU CO (JP) 2003-04-16 CN disclosed
US-6169086-B1 AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-1022270-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-07-26 EP disclosed
CN-1251578-A Pyrazole derivative DAIICHI SEIYAKU CO (JP) 2000-04-26 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 (4 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-11795138-B2 Process of fluorinating inorganic compounds by direct fluorination AFF2, CYP4F2, AFF1 VCAM1 4730/4885XDH 1467/4885MEN1 1377/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 VCAM1 3142/4885XDH 369/4885MEN1 4344/4885
US-20220135516-A1 Process of Fluorinating Inorganic Compounds by Direct Fluorination AFF2, CYP4F2, AFF1 VCAM1 4730/4885XDH 1467/4885MEN1 1377/4885
US-11447446-B2 Process of fluorinating inorganic or organic compounds by direct fluorination CYP4F2, AFF2, CYP4F3 VCAM1 4745/4885XDH 1381/4885MEN1 1888/4885

“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.