SCHEMBL3460951

SCHEMBL3460951

O=C(NCCc1cccnc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.78
CNR1 P21554 1/20 0.63
MAPT P10636 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 3/20 0.55
LMNA P02545 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
POLB P06746 3/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
FPR1 P21462 2/20 0.52
FPR2 P25090 2/20 0.52

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
SCHEMBL29374071 0.88 NAMPT (1.00) NAMPTMAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11844425 0.88 NAMPT (1.00) NAMPTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL146250 0.88 NAMPT (1.00) NAMPTMAPTMEN1KMT2ASMN1; SMN2
Bromide SCHEMBL11621172 0.87 NAMPT (0.98) NAMPTMAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11847957 0.87 NAMPT (0.98) NAMPTMAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11838523 0.87 NAMPT (0.98) NAMPTMAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11845343 0.87 NAMPT (0.98) NAMPTMAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11838517 0.86 NAMPT (0.95) NAMPTMAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11847952 0.86 NAMPT (0.95) NAMPTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL15308418 0.85 MEN1 (0.78) NAMPTCNR1MAPTMEN1KMT2A

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 NAMPT 1938/4885CNR1 174/4885MAPT 2831/4885

“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.