SCHEMBL16596407

SCHEMBL16596407

CCCCCCc1ccc(Br)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MPO P05164 1/20 0.35

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
SCHEMBL16596477 0.87 NOS3 (0.43) TYRTSHRMEN1HTTKMT2A
SCHEMBL16596414 0.87 NOS3 (0.43) TYRTSHRMEN1HTTKMT2A
SCHEMBL16596590 0.87 NOS3 (0.43) TYRTSHRMEN1HTTKMT2A
SCHEMBL16596455 0.87 NOS3 (0.43) TYRTSHRMEN1HTTKMT2A
SCHEMBL16596442 0.87 NOS3 (0.43) TYRTSHRMEN1HTTKMT2A
SCHEMBL16596418 0.87 NOS3 (0.43) TYRTSHRMEN1HTTKMT2A
SCHEMBL16596439 0.87 NOS3 (0.43) TYRTSHRMEN1HTTKMT2A
SCHEMBL16596578 0.87 NOS3 (0.43) TYRTSHRMEN1HTTKMT2A
SCHEMBL16596480 0.87 NOS3 (0.43) TYRTSHRMEN1HTTKMT2A
SCHEMBL8860801 0.82 TSHR (0.53) TYRTSHRMEN1HTTKMT2A

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
EP-3048107-B1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE USING SAME FUTURE INK CORP (JP) 2021-01-13 EP disclosed
US-9978954-B2 Benzobis (thiadiazole) derivative, ink comprising same, and organic electronic device comprising same UBE INDUSTRIES, LTD. (JP) 2018-05-22 US disclosed
US-20160276598-A1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK COMPRISING SAME, AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME FUTURE INK CORPORATION (JP) 2016-09-22 US disclosed
EP-3048107-A1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE USING SAME UBE Industries, Ltd. (JP) 2016-07-27 EP disclosed
WO-2015041026-A1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE USING SAME 宇部興産株式会社 2015-03-26 WO 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-20160276598-A1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK COMPRISING SAME, AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME BRD3, TH, BRS3 TYR 10/4885TSHR 1867/4885MEN1 1323/4885

“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.