SCHEMBL17278982

SCHEMBL17278982

c1cc(-c2ccc(N3CCSCC3)cc2)ccc1N=Nc1ccc(N2CCSCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LGMN Q99538 2/20 0.44
▸ ADRA2A P08913 2/20 0.40
▸ ADRA2B P18089 2/20 0.40
▸ ADRA2C P18825 2/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ APP P05067 1/20 0.38
▸ THRB P10828 1/20 0.37
▸ GSK3B P49841 2/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ AR P10275 2/20 0.34
▸ L3MBTL3 Q96JM7 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL17278981 0.92 LGMN (0.54) MAPTALDH1A1LGMNGSK3BL3MBTL1
SCHEMBL17278980 0.87 CA12 (0.41) MAPTALDH1A1LGMNAKR1C3THRB
SCHEMBL17279007 0.85 MAPT (0.45) MAPTALDH1A1LGMNADRA2AADRA2B
SCHEMBL19823017 0.81 CA12 (0.44) MAPTALDH1A1LGMNAKR1C3THRB
SCHEMBL17278983 0.78 GSK3B (0.51) MAPTALDH1A1LGMNGSK3BL3MBTL1
SCHEMBL23084182 0.76 S1PR1 (0.44) MAPTALDH1A1LGMNL3MBTL1L3MBTL3
SCHEMBL19850678 0.75 MEN1 (0.41) MAPTALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL19844460 0.75 ADRB1 (0.41) MAPTALDH1A1LGMNAKR1C3L3MBTL1
SCHEMBL17786666 0.75 MAPT (0.37) MAPTALDH1A1LGMNADRA2AADRA2B
SCHEMBL17786665 0.75 MAPT (0.37) MAPTALDH1A1LGMNADRA2AADRA2B

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-9644148-B2 Liquid Crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-09 — — US disclosed
US-9644148-B2 Liquid Crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-09 — — US disclosed
US-20150337203-A1 COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 — — US disclosed
US-20150337203-A1 COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 — — 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-20150337203-A1 COMPOSITION CRY1, CRY2, C5 MAPT 120/4885ALDH1A1 3469/4885LGMN 2550/4885

“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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