SCHEMBL1107933

SCHEMBL1107933

FC(F)(F)c1cccc(-c2cccc(-c3nnc(-c4cc(-c5ccccc5)cc(-c5nnc(-c6cccc(-c7cccc(C(F)(F)F)c7)n6)s5)c4)s3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.48
ADORA2A P29274 2/20 0.46
ADORA1 P30542 1/20 0.46
KMO O15229 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.41
IDO1 P14902 1/20 0.41
ATR Q13535 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
KDM1A O60341 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1107923 0.95 CTSS (0.52) CTSSADORA2AADORA1KMOALDH1A1
SCHEMBL1107942 0.92 CTSS (0.52) CTSSADORA2AADORA1KMOALDH1A1
SCHEMBL1107914 0.91 CTSS (0.56) CTSSADORA2AADORA1KMOALDH1A1
SCHEMBL1107931 0.90 KIF11 (0.46) ADORA2AADORA1MEN1KMT2AMAOB
SCHEMBL1107938 0.89 CTSS (0.52) CTSSADORA2AADORA1KMOALDH1A1
SCHEMBL1107927 0.89 CTSS (0.47) CTSSADORA2AADORA1KMOALDH1A1
SCHEMBL1107905 0.85 MEN1 (0.53) ADORA2AADORA1ALDH1A1KDM4EMEN1
SCHEMBL1107873 0.85 CTSS (0.48) CTSSADORA2AADORA1KMOALDH1A1
SCHEMBL1107926 0.84 CTSS (0.50) CTSSADORA2AADORA1KMOALDH1A1
SCHEMBL1107961 0.84 CTSS (0.47) CTSSADORA2AADORA1KMOALDH1A1

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-8153277-B2 Compound having thiadiazole ring structure substituted with pyridyl group and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-8153277-B2 Compound having thiadiazole ring structure substituted with pyridyl group and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-04-30 US disclosed
US-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-04-30 US disclosed
EP-2009013-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2008-12-31 EP 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-20090108750-A1 COMPOUND HAVING THIADIAZOLE RING STRUCTURE SUBSTITUTED WITH PYRIDYL GROUP AND ORGANIC ELECTROLUMINESCENT DEVICE OXA1L, SLCO4C1, SLCO2B1 CTSS 4625/4885ADORA2A 2291/4885ADORA1 836/4885

“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.