SCHEMBL3378447

SCHEMBL3378447

CC(=O)NC(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 6/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
MARS2 Q96GW9 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
GLA P06280 1/20 0.42
ALOX12 P18054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3378444 1.00 NPC1 (0.54) NPC1KMT2AMEN1MAPTMAPK1
SCHEMBL8698369 0.84 ALDH1A1 (0.47) NPC1KMT2AMEN1MAPTALDH1A1
SCHEMBL9619788 0.82 SMN1; SMN2 (0.52) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8854027 0.81 TSHR (0.45) NPC1KMT2AMEN1MAPTALDH1A1
SCHEMBL13645822 0.80 NPC1 (0.56) NPC1KMT2AMEN1MAPTMAPK1
SCHEMBL16602097 0.80 NPC1 (0.56) NPC1KMT2AMEN1MAPTMAPK1
SCHEMBL8310016 0.80 NPC1 (0.56) NPC1KMT2AMEN1MAPTMAPK1
SCHEMBL3379479 0.80 PPARG (0.54) NPC1KMT2AMEN1MAPTMAPK1
SCHEMBL3379484 0.80 PPARG (0.54) NPC1KMT2AMEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL30140874 0.79 NPC1 (0.55) NPC1KMT2AMEN1MAPTMAPK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101389609-B Hydantoin-based kinase inhibitors HOFFMANN LA ROCHE 2012-01-11 CN disclosed
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 EP disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
CN-101389609-A Hydantoin-based kinase inhibitors HOFFMANN LA ROCHE (CH) 2009-03-18 CN disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 WO disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 US disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 US disclosed
US-RE33948-E Bactericides, animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
US-4748163-A Novel β-lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
EP-0195947-A2 Beta-lactam antibiotics, process for their preparation and their use as and in medicaments BAYER AG (DE) 1986-10-01 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 (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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF NPC1 2469/4885KMT2A 179/4885MEN1 444/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC NPC1 3225/4885KMT2A 1913/4885MEN1 1615/4885

“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.