SCHEMBL356229

SCHEMBL356229

CCCCCCCCN(CCCCCCCC)c1ccc(-c2ccc(-c3ccncc3)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LIMK1 P53667 1/20 0.37
▸ APP P05067 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ INSR P06213 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34

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
SCHEMBL353810 1.00 PRKCI (0.40) PRKCICYP3A4CYP2D6NR1H2NR1H3
SCHEMBL352860 0.94 NR1H2 (0.43) PRKCICYP3A4CYP2D6NR1H2NR1H3
SCHEMBL10340990 0.88 CYP3A4 (0.50) CYP3A4CYP2D6NR1H2NR1H3MAPT
SCHEMBL354452 0.85 INSR (0.35) CYP3A4CYP2D6NR1H2NR1H3APP
SCHEMBL354483 0.83 KDM4E (0.47) CYP2D6NR1H2NR1H3MAPTNPSR1
SCHEMBL353986 0.82 PRKCI (0.46) PRKCICYP3A4NR1H2NR1H3MAPT
SCHEMBL11336632 0.81 CYP3A4 (0.53) CYP3A4CYP2D6NR1H2NR1H3MAPT
SCHEMBL25385537 0.81 NR1H2 (0.44) CYP3A4CYP2D6NR1H2NR1H3MAPT
SCHEMBL1261662 0.81 NR1H2 (0.44) CYP3A4CYP2D6NR1H2NR1H3MAPT
SCHEMBL18590690 0.81 NR1H2 (0.44) CYP3A4CYP2D6NR1H2NR1H3MAPT

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 PRKCI 2894/4885CYP3A4 3818/4885CYP2D6 3740/4885

“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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