SCHEMBL10262240

SCHEMBL10262240

c1ccc2c3c(ccc2c1)=NCN=3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CYP2A6 P11509 5/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPRT1 P00492 1/20 0.42
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 3/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
PAX8 Q06710 1/20 0.35
KIF11 P52732 1/20 0.35
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
KEAP1 Q14145 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL31408942 0.82 ALDH1A1 (0.40) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL18032678 0.79
SCHEMBL18032677 0.71 HPRT1 (0.41) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL6881238 0.70 ALDH1A1 (0.46) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL18032674 0.69 NQO2 (0.42) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL7942707 0.67 ALDH1A1 (0.42) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL9795832 0.67 ALDH1A1 (0.42) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL30932938 0.66 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL29477074 0.66 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Phenanthrene SCHEMBL29358486 0.66 CYP2A6 (1.00) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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-8211333-B2 Poly(oxyalkylene)ated colorants and their use as fluorescent security taggants SUN CHEMICAL CORP. (US) 2012-07-03 US disclosed
US-20110226155-A1 Poly(oxyalkylene)ated Colorants and Their Use as Fluorescent Security Taggants SUN CHEMICAL CORPORATION (US) 2011-09-22 US disclosed
US-20080178763-A1 Poly(oxyalkylene)ated Colorants and Their Use as Fluorescent Security Taggants SUN CHEMICAL CORPORATION (US) 2008-07-31 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 (2 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-20110226155-A1 Poly(oxyalkylene)ated Colorants and Their Use as Fluorescent Security Taggants ALK, CLPTM1, ALKBH3 ALDH1A1 88/4885CYP2A6 1393/4885HSD17B10 1604/4885
US-20080178763-A1 Poly(oxyalkylene)ated Colorants and Their Use as Fluorescent Security Taggants ALK, CLPTM1, ALKBH3 ALDH1A1 88/4885CYP2A6 1393/4885HSD17B10 1604/4885

“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.