SCHEMBL1107917

SCHEMBL1107917

FC(F)(F)c1ccccc1-c1cccc(-c2nnc(-c3ccc4c(ccc5nc(-c6nnc(-c7cccc(-c8ccccc8C(F)(F)F)n7)s6)ccc54)n3)s2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.44
PTPN1 P18031 4/20 0.41
AR P10275 2/20 0.41
KMO O15229 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
C1R P00736 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
CLK4 Q9HAZ1 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP1 O94782 2/20 0.36
WDR48 Q8TAF3 2/20 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 0.89 KMO (0.44) ACP1PTPN1KMOALDH1A1HPGD
SCHEMBL1107872 0.84 PTPN1 (0.43) ACP1PTPN1KMOALDH1A1HPGD
SCHEMBL1107868 0.84 KMO (0.41) KMOALDH1A1HPGDF2RL3
SCHEMBL1107958 0.83 SCN9A (0.43) ACP1KMOALDH1A1HPGDCYP1A2
SCHEMBL1107907 0.83 ALDH1A1 (0.43) ACP1PTPN1KMOALDH1A1HPGD
SCHEMBL13999054 0.82 ACP1 (0.32) ACP1PTPN1ARCYP1A2CYP2D6
SCHEMBL1107921 0.82 SCN9A (0.45) ACP1KMOCYP1A2CYP3A4F2RL3
SCHEMBL1107949 0.81 MEN1 (0.43) ALDH1A1HPGDMEN1TSHRKMT2A
SCHEMBL1107918 0.81 SCN9A (0.42) ACP1KMOALDH1A1HPGDF2RL3
SCHEMBL1107893 0.79 HSD11B1 (0.46) ACP1KMOCYP1A2CYP3A4F2RL3

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 ACP1 3034/4885PTPN1 3706/4885AR 3528/4885

“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.