SCHEMBL2870229

SCHEMBL2870229

Cc1cc(F)c([N+](=O)[O-])cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.44
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 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
ALOX15 P16050 1/20 0.41
ESPL1 Q14674 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C9 P11712 2/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 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
SCHEMBL19175062 0.86 VCAM1 (0.44) VCAM1MAPTALDH1A1HTTTDP1
SCHEMBL773066 0.85 VCAM1 (0.49) VCAM1MAPTALDH1A1HTTTDP1
SCHEMBL57107 0.84 VCAM1 (0.47) VCAM1MAPTALDH1A1HTTTDP1
SCHEMBL14739198 0.84 VCAM1 (0.47) VCAM1MAPTALDH1A1HTTTDP1
SCHEMBL31200186 0.84 VCAM1 (0.47) VCAM1MAPTALDH1A1HTTTDP1
Potassium Ion SCHEMBL5158030 0.81 VCAM1 (0.45) VCAM1MAPTALDH1A1HTTTDP1
SCHEMBL23259423 0.81 MAPT (0.37) VCAM1MAPTALDH1A1HTTTDP1
SCHEMBL7024321 0.80 VCAM1 (0.47) VCAM1MAPTALDH1A1HTTTDP1
SCHEMBL4614436 0.80 VCAM1 (0.47) VCAM1MAPTALDH1A1HTTTDP1
SCHEMBL1291838 0.79 VCAM1 (0.51) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118624748-A Detection method of mutation impurity hydrazine in carbidopa-containing medicine 四川旅游学院 2024-09-10 CN claimed
US-20250171462-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2025-05-29 US disclosed
EP-4486722-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Nico Therapeutics, Inc. (US) 2025-01-08 EP disclosed
CN-119137101-A Compounds, compositions, and methods 尼科治疗有限公司 2024-12-13 CN disclosed
CN-118624748-A Detection method of mutation impurity hydrazine in carbidopa-containing medicine 四川旅游学院 2024-09-10 CN disclosed
CN-118624748-A Detection method of mutation impurity hydrazine in carbidopa-containing medicine 四川旅游学院 2024-09-10 CN disclosed
WO-2023168298-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-09-07 WO disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 US disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 WO disclosed
WO-2010103306-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS ASTRAZENECA UK LIMITED (GB) 2010-09-16 WO disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
EP-1960389-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-08-27 EP disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 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 (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-20250171462-A1 COMPOUNDS, COMPOSITIONS, AND METHODS SARM1, SARS1, TIAM1 VCAM1 3729/4885MAPT 2256/4885ALDH1A1 4115/4885
US-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 VCAM1 1770/4885MAPT 185/4885ALDH1A1 2596/4885
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF WEE1, WEE2, EGFR VCAM1 2765/4885MAPT 4352/4885ALDH1A1 2696/4885
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine CHRM1, CHRM2, CHRM5 VCAM1 1789/4885MAPT 1684/4885ALDH1A1 1574/4885

“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.