SCHEMBL10154020

SCHEMBL10154020

CNS(=O)(=O)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.67
ALDH1A1 P00352 5/20 0.66
GAA P10253 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 4/20 0.58
MLNR O43193 4/20 0.56
HPGD P15428 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
IRS1 P35568 1/20 0.52
LMNA P02545 2/20 0.51
PKM P14618 1/20 0.51
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.46

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
SCHEMBL30338749 1.00 HSD17B10 (0.67) HSD17B10ALDH1A1GAAMEN1KMT2A
SCHEMBL14101423 0.86 ALDH1A1 (0.66) HSD17B10ALDH1A1GAAMEN1KMT2A
SCHEMBL8230176 0.86 ALDH1A1 (0.66) HSD17B10ALDH1A1GAAMEN1KMT2A
SCHEMBL8277070 0.85 HSD17B10 (0.62) HSD17B10ALDH1A1GAAMEN1KMT2A
SCHEMBL13212276 0.84 HSD17B10 (0.72) HSD17B10ALDH1A1GAAMEN1KMT2A
SCHEMBL2651145 0.82 ALDH1A1 (0.73) HSD17B10ALDH1A1GAAMEN1KMT2A
SCHEMBL10192088 0.82 GAA (0.86) HSD17B10ALDH1A1GAAMEN1KMT2A
SCHEMBL724192 0.81 ALDH1A1 (0.71) HSD17B10ALDH1A1GAAMEN1KMT2A
SCHEMBL30048936 0.81 ALDH1A1 (0.71) HSD17B10ALDH1A1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL28787677 0.81 ALDH1A1 (0.71) HSD17B10ALDH1A1GAAMEN1KMT2A

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-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
EP-2114945-B1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2010-10-20 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
WO-2008092831-A1 PTERIDINONE DERIVATIVES AS PI3-KINASES INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-07 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA HSD17B10 2557/4885ALDH1A1 3496/4885GAA 3043/4885

“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.