SCHEMBL2350899

SCHEMBL2350899

N#Cc1ccc(-c2ccccc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
AR P10275 1/20 0.50
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GALR3 O60755 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
SLC22A12 Q96S37 8/20 0.43
ESR2 Q92731 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL31295745 0.89 ESR2 (0.50) IMPDH2IMPDH1ARCYP1A2CYP2C9
SCHEMBL25543633 0.86 AR (0.41) IMPDH2IMPDH1ARCYP1A2CYP2C9
SCHEMBL22259167 0.86 CYP1A2 (0.44) IMPDH2IMPDH1ARCYP1A2CYP2C9
SCHEMBL16917824 0.86 IMPDH2 (0.57) IMPDH2IMPDH1ARALDH1A1KDM4E
SCHEMBL24407116 0.84 AR (0.45) IMPDH2IMPDH1ARCYP1A2CYP2C9
SCHEMBL6152302 0.84 IMPDH2 (0.49) IMPDH2IMPDH1ARCYP1A2CYP2C9
SCHEMBL25546169 0.84 AR (0.45) IMPDH2IMPDH1ARALDH1A1NPSR1
SCHEMBL23625535 0.84 AR (0.45) IMPDH2IMPDH1ARCYP1A2CYP2C9
SCHEMBL13170789 0.84 AR (0.45) IMPDH2IMPDH1ARMAOAMAOB
SCHEMBL25543162 0.84 AR (0.41) IMPDH2IMPDH1ARCYP1A2CYP2C9

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-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
US-4189323-A Radiation-sensitive copying composition HOECHST AKTIENGESELLSCHAFT (DE) 1980-02-19 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-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 IMPDH2 1170/4885IMPDH1 1169/4885AR 2641/4885

“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.