SCHEMBL3486861

SCHEMBL3486861

O=S(=O)(O)c1ccc(N=Nc2cccc3ccccc23)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.76
CYP1A2 P05177 5/20 0.68
ATIC P31939 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NSD2 O96028 2/20 0.56
POLB P06746 1/20 0.56
IDE P14735 1/20 0.56
DUSP3 P51452 1/20 0.56
CCR6 P51684 1/20 0.56
BLM P54132 1/20 0.56
HIF1A Q16665 3/20 0.55
HPGD P15428 1/20 0.55
ALDH1A1 P00352 2/20 0.54
THRB P10828 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP2C9 P11712 2/20 0.53
TSHR P16473 1/20 0.53
PTPRA P18433 1/20 0.53
PTPRB P23467 1/20 0.53

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
SCHEMBL15113020 0.87 CTRB1 (0.70) CTRB1CYP1A2ATICMEN1KMT2A
SCHEMBL12960419 0.87 CYP1A2 (0.82) CTRB1CYP1A2ATICMEN1KMT2A
SCHEMBL11883462 0.87 CYP1A2 (0.58) CTRB1CYP1A2ATICMEN1KMT2A
SCHEMBL4423484 0.86 CTRB1 (1.00) CTRB1CYP1A2ATICMEN1KMT2A
SCHEMBL2810711 0.86 CTRB1 (0.74) CTRB1CYP1A2ATICMEN1KMT2A
SCHEMBL2810714 0.86 CTRB1 (0.74) CTRB1CYP1A2ATICMEN1KMT2A
SCHEMBL30440912 0.86 CTRB1 (0.74) CTRB1CYP1A2ATICMEN1KMT2A
SCHEMBL5489756 0.84 CYP1A2 (0.64) CTRB1CYP1A2ATICMEN1KMT2A
SCHEMBL5701120 0.83 CTRB1 (0.73) CTRB1CYP1A2MEN1KMT2ANSD2
SCHEMBL6763835 0.83 CTRB1 (0.73) CTRB1CYP1A2MEN1KMT2ANSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100047296-A1 Low-Residue Cosmetic Or Dermatological Stick Based On An Oil-In-Water Dispersion/Emulsion III HENKEL AG & CO. KGAA (DE) 2010-02-25 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-20100047296-A1 Low-Residue Cosmetic Or Dermatological Stick Based On An Oil-In-Water Dispersion/Emulsion III TYR, POLR1C, CUTA CTRB1 4384/4885CYP1A2 1316/4885ATIC 4010/4885

“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.