SCHEMBL18085151

SCHEMBL18085151

CCCCCCc1cc(Br)ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SLC6A4 P31645 1/20 0.37
▸ ALOX5 P09917 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PTGS2 P35354 3/20 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
SCHEMBL18085147 0.88 TSHR (0.40) MEN1HTTKMT2AALOX5TSHR
SCHEMBL30294097 0.88 TSHR (0.40) MEN1HTTKMT2AALOX5TSHR
SCHEMBL30468149 0.80 SLC6A4 (0.38) MEN1HTTKMT2ASLC6A4TDP1
SCHEMBL29098920 0.79 SMN1; SMN2 (0.45) SMN1; SMN2NPSR1MEN1HTTKMT2A
SCHEMBL19274260 0.78 THRA (0.51) SLC6A4ALOX5PTGS2
SCHEMBL20303640 0.78 USP28 (0.44) SMN1; SMN2NPSR1MEN1HTTKMT2A
SCHEMBL16596441 0.77 S1PR1 (0.39) SMN1; SMN2NPSR1MEN1HTTKMT2A
SCHEMBL19506246 0.76 THRA (0.49) SLC6A4ALOX5PTGS2
SCHEMBL3853386 0.76 SLC6A4 (0.40) MEN1HTTKMT2ALMNASLC6A4
SCHEMBL29098918 0.76 SMN1; SMN2 (0.45) SMN1; SMN2NPSR1MEN1HTTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SMN1; SMN2 4013/4885NPSR1 4333/4885MEN1 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.

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