SCHEMBL1107907

SCHEMBL1107907

FC(F)(F)c1ccccc1-c1cccc(-c2nnc(-c3ccc(-c4nnc(-c5cccc(-c6ccccc6C(F)(F)F)n5)s4)s3)s2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMO O15229 1/20 0.40
F2RL3 Q96RI0 1/20 0.38
HSD11B1 P28845 3/20 0.38
PTPN1 P18031 2/20 0.37
BACE1 P56817 1/20 0.37
CDC7 O00311 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
VCP P55072 1/20 0.36
CTSK P43235 1/20 0.36
NOTUM Q6P988 1/20 0.36
MPL P40238 2/20 0.36
ACP1 P24666 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1107908 0.93 KMO (0.44) ALDH1A1HPGDKMOF2RL3HSD11B1
SCHEMBL13999051 0.93 HSD11B1 (0.39) ALDH1A1HPGDKMOF2RL3HSD11B1
SCHEMBL1107868 0.87 KMO (0.41) ALDH1A1HPGDKMOF2RL3HSD11B1
SCHEMBL1107958 0.86 SCN9A (0.43) ALDH1A1HPGDKMOF2RL3HSD11B1
SCHEMBL1107872 0.85 PTPN1 (0.43) ALDH1A1HPGDKMOF2RL3HSD11B1
SCHEMBL1107921 0.85 SCN9A (0.45) KMOF2RL3HSD11B1ACP1CYP1A2
SCHEMBL1107917 0.83 ACP1 (0.44) ALDH1A1HPGDKMOF2RL3PTPN1
SCHEMBL1107918 0.82 SCN9A (0.42) ALDH1A1HPGDKMOF2RL3HSD11B1
SCHEMBL1107893 0.82 HSD11B1 (0.46) KMOF2RL3HSD11B1BACE1ACP1
SCHEMBL13999221 0.79 PTPN1 (0.41) KMOF2RL3HSD11B1PTPN1MPL

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 4 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

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 ALDH1A1 403/4885HPGD 2694/4885KMO 974/4885

“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.