SCHEMBL3698744

SCHEMBL3698744

CN(c1ccc2c(O)c(/N=N/c3ccc4c(S(=O)(=O)O)cccc4c3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1)c1nc(N)nc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 2/20 0.42
▸ ENPP2 Q13822 5/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP1A2 P05177 4/20 0.37
▸ MPL P40238 1/20 0.35
▸ CTRC Q99895 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ ATIC P31939 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ DNASE1L3 Q13609 1/20 0.35
▸ FUT8 Q9BYC5 1/20 0.34
▸ CTRB1 P17538 1/20 0.34
▸ SUMO2 P61956 1/20 0.34

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
SCHEMBL3698750 1.00 PHLPP2 (0.42) PHLPP2ENPP2MEN1THRBKMT2A
SCHEMBL29575167 1.00 PHLPP2 (0.42) PHLPP2ENPP2MEN1THRBKMT2A
SCHEMBL10024206 0.94 MEN1 (0.42) PHLPP2ENPP2MEN1THRBKMT2A
SCHEMBL9182471 0.87 ENPP2 (0.41) PHLPP2ENPP2MEN1THRBKMT2A
SCHEMBL30710515 0.86 ENPP2 (0.33) PHLPP2ENPP2MEN1THRBKMT2A
SCHEMBL10444854 0.85 MEN1 (0.40) PHLPP2ENPP2MEN1THRBKMT2A
SCHEMBL12172969 0.85 PRMT1 (0.39) PHLPP2ENPP2MEN1THRBKMT2A
SCHEMBL29915507 0.83 PRMT1 (0.46) PHLPP2ENPP2MEN1THRBKMT2A
SCHEMBL9313176 0.82 FUT8 (0.47) PHLPP2ENPP2MEN1THRBKMT2A
SCHEMBL14488991 0.81 PHLPP2 (0.37) PHLPP2ENPP2MEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367823-B2 Colorants based N-halamines compositions and method of making and using BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-02-05 — — US disclosed
WO-2010149505-A2 CHARGED PARTICLES BASF SE (DE) 2010-12-29 — — WO disclosed
EP-2201069-A2 COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING Board of Regents, The University of Texas System (US) 2010-06-30 — — EP disclosed
WO-2009039180-A2 COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-03-26 — — WO disclosed
US-20090074825-A1 COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-03-19 — — US disclosed
EP-0885999-A2 Process for ink jet printing textile materials Ciba SC Holding AG (CH) 1998-12-23 — — 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-20090074825-A1 COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING TYR, MPO, NISCH PHLPP2 2356/4885ENPP2 3851/4885MEN1 2900/4885

“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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