SCHEMBL3590811

SCHEMBL3590811

COC(=O)Cc1ccc2ncsc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.56
NPC1 O15118 9/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HPGD P15428 3/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KDM4E B2RXH2 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HKDC1 Q2TB90 1/20 0.49
ALDH1A1 P00352 5/20 0.47
GFER P55789 2/20 0.47
GAA P10253 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
CYP4F2 P78329 1/20 0.44

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
SCHEMBL7427931 0.90 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL25269892 0.88 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30488184 0.88 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL27493244 0.86 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL27174606 0.83 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL414036 0.81 NPC1 (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL20955359 0.81 RAB9A (0.44) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL421391 0.80 NPC1 (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1744698 0.79 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12600103 0.78 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-10-26 US disclosed
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-10-26 US disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
EP-2081937-A2 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 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 (2 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-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 RAB9A 2833/4885NPC1 2777/4885SMN1; SMN2 2954/4885
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF AADAT, SLC1A2, SLC1A1 RAB9A 3148/4885NPC1 1685/4885SMN1; SMN2 261/4885

“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.