SCHEMBL3460442

SCHEMBL3460442

O=C(Nc1ccncc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.79
KMT2A Q03164 7/20 0.79
ALDH1A1 P00352 3/20 0.71
MAPT P10636 5/20 0.68
MAPK1 P28482 4/20 0.68
POLB P06746 2/20 0.68
MITF O75030 1/20 0.68
NPC1 O15118 4/20 0.66
RAB9A P51151 3/20 0.66
NPSR1 Q6W5P4 1/20 0.66
MYOC Q99972 1/20 0.66
MDM2 Q00987 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.64
LMNA P02545 1/20 0.64
TAAR1 Q96RJ0 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
PPARG P37231 1/20 0.57
PPARA Q07869 1/20 0.57

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
SCHEMBL6938002 0.91 MEN1 (0.66) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL1177730 0.89 MEN1 (1.00) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL6302157 0.89 MEN1 (1.00) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL6302417 0.84 MEN1 (0.89) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL11619512 0.84 ALDH1A1 (0.74) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL31668740 0.83 MDM2 (0.95) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL8373850 0.83 KMT2A (0.75) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6824044 0.82 CXCR1 (0.76) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL11055960 0.82 MEN1 (0.85) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL3178389 0.82 MAPT (0.71) MEN1KMT2AALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 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 (1 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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B MEN1 4730/4885KMT2A 2144/4885ALDH1A1 838/4885

“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.