SCHEMBL3461796

SCHEMBL3461796

CC1(C)OCC(CNc2ccc([N+](=O)[O-])cc2)O1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
ALDH1A1 P00352 4/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA2 P00918 1/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ICMT O60725 1/20 0.41
NAMPT P43490 3/20 0.40
IDO1 P14902 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
PTPRF P10586 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL11976713 0.80 CA2 (0.44) MAPTALDH1A1HSD17B10CA2SMN1; SMN2
SCHEMBL1746183 0.79 TRPA1 (0.44) MAPTALDH1A1RECQLHSD17B10SMN1; SMN2
SCHEMBL16015766 0.77 MGLL (0.52) MAPTNAMPTGAAKDM4EHTT
SCHEMBL10753411 0.76 SMN1; SMN2 (0.45) HSD17B10CA2SMN1; SMN2NAMPTGAA
SCHEMBL10753422 0.76 SMN1; SMN2 (0.45) HSD17B10CA2SMN1; SMN2NAMPTGAA
SCHEMBL10760974 0.76 SMN1; SMN2 (0.45) HSD17B10CA2SMN1; SMN2NAMPTGAA
SCHEMBL10758903 0.76 CA2 (0.40) MAPTALDH1A1HSD17B10CA2SMN1; SMN2
SCHEMBL10759878 0.76 CA2 (0.40) MAPTALDH1A1CA2NAMPTGAA
SCHEMBL10759549 0.76 CA2 (0.40) MAPTALDH1A1HSD17B10CA2SMN1; SMN2
SCHEMBL10758908 0.76 CA2 (0.40) MAPTALDH1A1CA2NAMPTGAA

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 4 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
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 MAPT 2831/4885ALDH1A1 838/4885RECQL 3879/4885

“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.