SCHEMBL352860

SCHEMBL352860

CCCCN(CCCC)c1ccc(-c2ccc(-c3ccncc3)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PRKCI P41743 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LIMK1 P53667 1/20 0.38
▸ APP P05067 2/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ LATS1 O95835 1/20 0.36
▸ LATS2 Q9NRM7 1/20 0.36
▸ AR P10275 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 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
SCHEMBL356229 0.94 PRKCI (0.40) NR1H2NR1H3MAPTMAPK1NPSR1
SCHEMBL353810 0.94 PRKCI (0.40) NR1H2NR1H3MAPTMAPK1NPSR1
SCHEMBL11336632 0.87 CYP3A4 (0.53) NR1H2NR1H3MAPTMAPK1NPSR1
SCHEMBL353986 0.84 PRKCI (0.46) NR1H2NR1H3MAPTMAPK1NPSR1
SCHEMBL353792 0.81 PRKCI (0.41) MAPTPRKCICYP2D6KDM4EALDH1A1
SCHEMBL10340990 0.81 CYP3A4 (0.50) NR1H2NR1H3MAPTMAPK1NPSR1
SCHEMBL811561 0.80 NR1H2 (0.50) NR1H2NR1H3MAPTMAPK1NPSR1
SCHEMBL21608694 0.79 APP (0.34) NR1H2NR1H3ALDH1A1APPAR
SCHEMBL354452 0.79 INSR (0.35) NR1H2NR1H3CYP3A4CYP2D6APP
Hydrochloric Acid SCHEMBL10636513 0.78 NR1H2 (0.49) NR1H2NR1H3MAPTMAPK1NPSR1

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-20120015399-A1 FLUORESCENT SOLVATOCHROMIC PIGMENT NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2012-01-19 — — US disclosed
EP-2395055-A1 FLUORESCENT SOLVATOCHROMIC PIGMENT National University Corporation Hokkaido University (JP) 2011-12-14 — — EP 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-20120015399-A1 FLUORESCENT SOLVATOCHROMIC PIGMENT ANXA5, TRPV5, TRPC5 NR1H2 3502/4885NR1H3 3259/4885MAPT 1361/4885

“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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