SCHEMBL3461830

SCHEMBL3461830

CC(NC(=O)Nc1ccc(N)cc1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.79
MTOR P42345 1/20 0.59
FLT3 P36888 2/20 0.57
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
F7 P08709 2/20 0.53
CYP2C9 P11712 1/20 0.53
NAMPT P43490 1/20 0.53
F2 P00734 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GHSR Q92847 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
NPY5R Q15761 1/20 0.50
CASR P41180 1/20 0.50
IDH1 O75874 1/20 0.49
C5 P01031 1/20 0.49

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
SCHEMBL16942608 0.89 HSD17B10 (0.81) HSD17B10MTORFLT3RAB9AF7
SCHEMBL16942602 0.89 HSD17B10 (0.81) HSD17B10MTORFLT3RAB9AF7
SCHEMBL9306563 0.89 HSD17B10 (1.00) HSD17B10MTORFLT3CYP2C9NAMPT
SCHEMBL9306555 0.89 HSD17B10 (1.00) HSD17B10MTORFLT3CYP2C9NAMPT
SCHEMBL16946640 0.86 HSD17B10 (0.81) HSD17B10MTORFLT3MAPTRAB9A
SCHEMBL6054883 0.86 HSD17B10 (0.81) HSD17B10MTORFLT3MAPTRAB9A
SCHEMBL8169526 0.86 HSD17B10 (0.81) HSD17B10MTORFLT3MAPTRAB9A
SCHEMBL11896379 0.85 HSD17B10 (0.74) HSD17B10MTORFLT3F7CYP2C9
SCHEMBL6811098 0.81 KMT2A (0.62) HSD17B10MAPTRAB9ACYP2C9KDM4E
SCHEMBL14433543 0.81 HSD17B10 (0.72) HSD17B10MTORFLT3MAPTRAB9A

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 HSD17B10 4675/4885MTOR 938/4885FLT3 631/4885

“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.