SCHEMBL1107913

SCHEMBL1107913

c1ccc(-c2cccc(-c3nnc(-c4cc(-c5nnc(-c6cccc(-c7ccccc7)n6)s5)cc(-c5nnc(-c6cccc(-c7ccccc7)n6)s5)c4)s3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
RAB9A P51151 2/20 0.57
PIM1 P11309 2/20 0.46
PIM3 Q86V86 2/20 0.46
PIM2 Q9P1W9 2/20 0.46
HSD17B1 P14061 2/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
ATM Q13315 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1107905 0.97 MEN1 (0.53) MEN1KMT2ARAB9APIM1PIM3
SCHEMBL1107866 0.96 RAB9A (0.57) MEN1KMT2ARAB9APIM1PIM3
SCHEMBL1107895 0.93 RAB9A (0.67) MEN1KMT2ARAB9APIM1PIM3
SCHEMBL1107892 0.91 RAB9A (0.59) MEN1KMT2ARAB9APIM1PIM3
SCHEMBL1107876 0.88 KMT2A (0.44) MEN1KMT2ARAB9APIM1PIM3
SCHEMBL1107862 0.87 RAB9A (0.50) MEN1KMT2ARAB9APIM1PIM3
SCHEMBL1107931 0.85 KIF11 (0.46) MEN1KMT2ARAB9APIM1PIM3
SCHEMBL1107915 0.84 RAB9A (0.55) MEN1KMT2ARAB9APIM1PIM3
SCHEMBL1107848 0.83 KDM4E (0.56) MEN1KMT2ARAB9AHSD17B1MAPT
SCHEMBL1107883 0.83 KDM4E (0.56) MEN1KMT2ARAB9AHSD17B1MAPT

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 3 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

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 MEN1 1449/4885KMT2A 2715/4885RAB9A 2662/4885

“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.