SCHEMBL6832833

SCHEMBL6832833

NC(=S)Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
EPHX1 P07099 2/20 0.64
RAB9A P51151 5/20 0.59
MAPT P10636 10/20 0.58
ALDH1A1 P00352 10/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 4/20 0.58
KDM4E B2RXH2 2/20 0.57
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 3/20 0.54
HPGD P15428 3/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MEN1 O00255 2/20 0.53
LMNA P02545 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL1592539 0.84 MAPT (0.58) GAAEPHX1RAB9AMAPTALDH1A1
SCHEMBL28786813 0.83 MAPT (0.65) GAAEPHX1RAB9AMAPTALDH1A1
SCHEMBL9424755 0.82 EPHX1 (0.46) GAAEPHX1RAB9AMAPTALDH1A1
SCHEMBL28703728 0.81 ADRB1 (0.49) GAAEPHX1ALDH1A1KDM4EHPGD
SCHEMBL3613703 0.81 NPC1 (0.56) GAARAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL14385666 0.80 EPHX1 (0.69) GAAEPHX1RAB9AMAPTALDH1A1
Bicarbonate SCHEMBL3549893 0.79 MAPT (0.60) GAAEPHX1RAB9AMAPTALDH1A1
SCHEMBL12100948 0.79 GAA (0.56) GAAEPHX1RAB9AMAPTALDH1A1
SCHEMBL5523949 0.79 MAPT (0.58) GAARAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL5003684 0.78 MAPT (0.72) GAAEPHX1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249702-B N-aryl- [2,4 '-dithiazole ] -2' -amine compound and preparation and application thereof 沈阳药科大学 2023-09-05 CN disclosed
CN-114249702-A N-aryl- [2,4 '-bithiazole ] -2' -amine compound and preparation and application thereof 沈阳药科大学 2022-03-29 CN disclosed
EP-2718290-B1 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CLEVEXEL PHARMA (FR) 2016-05-04 EP disclosed
EP-2718290-B1 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CLEVEXEL PHARMA (FR) 2016-05-04 EP disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
US-20120316148-A1 Compositions and Methods for Modulating a Kinase DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-13 US disclosed
EP-1467981-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 Kylix Pharmaceuticals B.V. (NL) 2004-10-20 EP disclosed
WO-2003062215-A1 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 KYLIX PHARMACEUTICALS B.V. (NL) 2003-07-31 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-20120316148-A1 Compositions and Methods for Modulating a Kinase PRKCH, MAP3K2, MAP3K6 GAA 3797/4885EPHX1 3163/4885RAB9A 3104/4885

“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.