SCHEMBL354452

SCHEMBL354452

CCCCCCN(CCCCCC)c1ccc(-c2ccc(-c3ncccn3)s2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ APP P05067 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ AGTR1 P30556 3/20 0.33
▸ AGTR2 P50052 3/20 0.33
▸ PTGES O14684 2/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ AR P10275 1/20 0.33
▸ CNR2 P34972 3/20 0.32
▸ UTS2R Q9UKP6 1/20 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
SCHEMBL354483 0.87 KDM4E (0.47) INSRNR1H2NR1H3MEN1KMT2A
SCHEMBL353810 0.85 PRKCI (0.40) INSRNR1H2NR1H3APPCYP3A4
SCHEMBL356229 0.85 PRKCI (0.40) INSRNR1H2NR1H3APPCYP3A4
SCHEMBL352860 0.79 NR1H2 (0.43) NR1H2NR1H3APPCYP3A4CYP2D6
Iodide SCHEMBL352068 0.77 KDM4E (0.37) INSRAPPMEN1KMT2ACYP1A2
SCHEMBL10031417 0.76 INSR (0.38) INSRAPPPTGESALOX5AR
SCHEMBL354255 0.74 INSR (0.34) INSRAPPMEN1KMT2APTGES
Iodide SCHEMBL356234 0.74 INSR (0.37) INSRAPPPTGESALOX5AR
SCHEMBL10064548 0.73 INSR (0.30) INSRAPP
SCHEMBL1128066 0.73 BDKRB2 (0.42) MEN1KMT2APTGESALOX5CYP1A2

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 3 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
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 INSR 4089/4885NR1H2 3502/4885NR1H3 3259/4885

“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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