SCHEMBL1107958

SCHEMBL1107958

FC(F)(F)c1ccccc1-c1cccc(-c2nnc(-c3cc(-c4nnc(-c5cccc(-c6ccccc6C(F)(F)F)n5)s4)cc(-c4nnc(-c5cccc(-c6ccccc6C(F)(F)F)n5)s4)c3)s2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.43
KMO O15229 2/20 0.40
ACP1 P24666 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD11B1 P28845 4/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GRM5 P41594 1/20 0.37
BACE1 P56817 1/20 0.37
TRPA1 O75762 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
TGFBR1 P36897 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
SCHEMBL1107921 0.96 SCN9A (0.45) SCN9AKMOACP1F2RL3CYP1A2
SCHEMBL1107918 0.95 SCN9A (0.42) SCN9AKMOACP1F2RL3HSD11B1
SCHEMBL1107868 0.93 KMO (0.41) SCN9AKMOF2RL3HSD11B1PIM1
SCHEMBL1107908 0.93 KMO (0.44) SCN9AKMOACP1F2RL3CYP1A2
SCHEMBL1107906 0.92 SCN9A (0.38) SCN9AKMOACP1F2RL3CYP1A2
SCHEMBL1107893 0.90 HSD11B1 (0.46) SCN9AKMOACP1F2RL3CYP1A2
SCHEMBL1107907 0.86 ALDH1A1 (0.43) KMOACP1F2RL3CYP1A2CYP3A4
SCHEMBL1107872 0.85 PTPN1 (0.43) KMOACP1F2RL3HSD11B1ALDH1A1
SCHEMBL1107910 0.84 PIM1 (0.37) SCN9AKMOACP1F2RL3CYP1A2
SCHEMBL1107917 0.83 ACP1 (0.44) KMOACP1F2RL3CYP1A2CYP3A4

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 SCN9A 1892/4885KMO 974/4885ACP1 3034/4885

“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.