SCHEMBL18164786

SCHEMBL18164786

O=S(=O)(Oc1c(N(c2ccccc2)c2ccccc2)cccc1N(c1ccccc1)c1ccc2oc3ccccc3c2c1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPT P10636 3/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ BCAT1 P54687 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MMP12 P39900 2/20 0.32
▸ MMP13 P45452 2/20 0.32

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
SCHEMBL18164809 0.87 HTT (0.35) SMN1; SMN2HTTALDH1A1HPGDCYP1A2
SCHEMBL18164791 0.85 — —
SCHEMBL18164807 0.84 NR1H3 (0.32) LMNAL3MBTL1CDC14BCDC14A
SCHEMBL18164854 0.84 HPGD (0.33) SMN1; SMN2HTTALDH1A1HPGDCYP1A2
SCHEMBL18164799 0.83 CA12 (0.36) ALDH1A1HPGDMAPTKDM4E
SCHEMBL18164700 0.82 LMNA (0.32) SMN1; SMN2HTTALDH1A1HPGDCYP1A2
SCHEMBL18164861 0.79 KMT2A (0.34) SMN1; SMN2HTTALDH1A1HPGDCYP1A2
SCHEMBL18164818 0.79 MAOB (0.36) SMN1; SMN2HTTALDH1A1HPGDCYP1A2
SCHEMBL24154140 0.79 MAPT (0.45) SMN1; SMN2ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL18164868 0.79 CA12 (0.32) SMN1; SMN2HTTALDH1A1HPGDCYP1A2

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-20180123048-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-05-03 — — US disclosed
WO-2016167491-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS 덕산네오룩스 주식회사 2016-10-20 — — 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-20180123048-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, OCIAD1, LEF1 SMN1; SMN2 1339/4885HTT 4607/4885ALDH1A1 493/4885

“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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