SCHEMBL1107943

SCHEMBL1107943

c1cc(-c2nnc(-c3ccc4ccc(-c5nnc(-c6cccc(-c7cc8ccccc8c8ccccc78)n6)s5)nc4n3)s2)nc(-c2cc3ccccc3c3ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 4/20 0.35
HPGD P15428 3/20 0.35
HIF1A Q16665 2/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP11B1 P15538 1/20 0.34
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL1107960 0.91 KDM4E (0.42) MGAMGAASIMGAM2KDM4E
SCHEMBL1107902 0.86 PIM1 (0.39) MGAMGAASIMGAM2KDM4E
SCHEMBL1107954 0.86 PIM1 (0.41) MGAMGAASIMGAM2KDM4E
SCHEMBL1107959 0.86 KDM4E (0.41) KDM4EMAPTRAB9ANPC1ATM
SCHEMBL1107967 0.84 PIM1 (0.43) MGAMGAASIMGAM2KDM4E
SCHEMBL1107934 0.84 MGAM (0.37) MGAMGAASIMGAM2KDM4E
SCHEMBL1107968 0.84 PIM1 (0.41) MGAMGAASIMGAM2KDM4E
SCHEMBL13045233 0.83 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDHIF1AMAPK1
SCHEMBL1107889 0.81 PIM1 (0.41) MGAMGAASIMGAM2KDM4E
SCHEMBL1107939 0.77 PIM1 (0.34) MGAMGAASIMGAM2KDM4E

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 MGAM 4378/4885GAA 4395/4885SI 4659/4885

“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.