SCHEMBL2353695

SCHEMBL2353695

N#Cc1ccc(-c2cccc3ccccc23)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MCL1 Q07820 1/20 0.50
AR P10275 1/20 0.47
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
ALOX15 P16050 3/20 0.45
SLC22A12 Q96S37 5/20 0.45
XDH P47989 1/20 0.43
PIM1 P11309 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HCRTR1 O43613 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL16917824 0.87 IMPDH2 (0.57) CA1CA2ARIMPDH2IMPDH1
SCHEMBL28203557 0.86 CA1 (0.60) CA1CA2MCL1ALOX15XDH
SCHEMBL20561064 0.84 MCL1 (0.58) CA1CA2MCL1ALOX15XDH
SCHEMBL31236642 0.84 MCL1 (0.58) CA1CA2MCL1ALOX15XDH
SCHEMBL13192347 0.84 CA1 (0.42) CA1CA2MCL1ARIMPDH2
SCHEMBL769553 0.81 CA1 (0.55) CA1CA2MCL1ALOX15XDH
SCHEMBL29039496 0.81 CA1 (0.50) CA1CA2MCL1ALOX15SLC22A12
SCHEMBL59702 0.81 CA1 (0.69) CA1CA2MCL1IMPDH2IMPDH1
SCHEMBL11228244 0.80 IMPDH2 (0.59) CA1CA2ARIMPDH2IMPDH1
SCHEMBL23191270 0.80 ALDH1A1 (0.46) CA1CA2MCL1ARIMPDH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008507-B2 Fluorescent diketopyrrolopyrroles BASF SE Ludwigshafen (DE) 2011-08-30 US disclosed
EP-1817392-B1 FLUORESCENT DIKETOPYRROLOPYRROLES CIBA HOLDING INC (CH) 2009-01-07 EP disclosed
US-20080217581-A1 Inks, colorants, pigmented plastics for coatings, non-impact-printing material, color filters, cosmetics, polymeric ink particles, toners, fluorescent tracers; high in the efficiency of electrical energy utilisation and high in luminance CIBA CORPORATION 2008-09-11 US disclosed
EP-1817392-A1 FLUORESCENT DIKETOPYRROLOPYRROLES Ciba Specialty Chemicals Holding Inc. (CH) 2007-08-15 EP disclosed
WO-2006061343-A1 FLUORESCENT DIKETOPYRROLOPYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-06-15 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-20080217581-A1 Inks, colorants, pigmented plastics for coatings, non-impact-printing material, color filters, cosmetics, polymeric ink particles, toners, fluorescent tracers; high in the efficiency of electrical energy utilisation and high in luminance TYR, MC1R, IK CA1 4734/4885CA2 2784/4885MCL1 4415/4885

“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.