SCHEMBL3338155

SCHEMBL3338155

Nc1ccc(N)c(-c2cc(N)ccc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.46
ALDH1A1 P00352 8/20 0.44
CYP3A4 P08684 7/20 0.44
TDP1 Q9NUW8 5/20 0.44
TSHR P16473 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 3/20 0.42
POLB P06746 3/20 0.42
ALOX15 P16050 3/20 0.42
BLM P54132 2/20 0.42
PTPRC P08575 2/20 0.42
THRB P10828 2/20 0.42
HPGD P15428 2/20 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
SCHEMBL6011526 0.89 CASP1 (0.44) CASP1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL5133404 0.87 ALDH1A1 (0.65) CASP1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL6572102 0.84 ALDH1A1 (0.48) CASP1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL6572324 0.84 PDE10A (0.54) CASP1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL5688007 0.84 TSHR (0.48) CASP1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL30075769 0.83 TDP1 (0.50) CASP1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL2479814 0.83 TDP1 (0.50) CASP1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL2010686 0.83 CASP1 (0.34) CASP1ALDH1A1CYP3A4TDP1TSHR
Hydrochloric Acid SCHEMBL6571929 0.81 TDP1 (0.48) CASP1ALDH1A1CYP3A4TDP1TSHR
SCHEMBL6572927 0.81 CYP3A4 (0.39) CASP1ALDH1A1CYP3A4TDP1TSHR

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10639257-B2 Composition for colouring keratin fibres BEAUTY & BUSINESS S.P.A. (IT) 2020-05-05 US claimed
US-20190117541-A1 COMPOSITION FOR COLOURING KERATIN FIBRES BEAUTY & BUSINESS S.P.A. (IT) 2019-04-25 US claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
US-11986547-B2 Cosmetic composition comprising silicone materials DOW SILICONES CORPORATION (US) 2024-05-21 US disclosed
US-11820846-B2 Composition, method of preparing copolymer, and methods and end uses thereof DOW SILICONES CORPORATION (US) 2023-11-21 US disclosed
WO-2022256476-A1 ORRIS ROOT EXTRACTS, COMPOSITIONS, AND METHODS FOR SKIN APPLICATIONS ACCESS BUSINESS GROUP INTERNATIONAL LLC (US) 2022-12-08 WO disclosed
US-20220119421-A1 BRANCHED ORGANOSILICON COMPOUND, METHOD OF PREPARING SAME, AND RELATED COMPOSITIONS DOW SILICONES CORPORATION 2022-04-21 US disclosed
US-20220119597-A1 BRANCHED ORGANOSILICON COMPOUND, METHOD OF PREPARING SAME, AND COPOLYMER FORMED THEREWITH DOW TORAY CO., LTD. (JP) 2022-04-21 US disclosed
US-20220106337-A1 BRANCHED ORGANOSILICON COMPOUND, METHOD OF PREPARING SAME, AND COMPOSITIONS COMPRISING SAME DOW SILICONES CORPORATION 2022-04-07 US disclosed
US-20220081565-A1 ACRYLATE-FUNCTIONAL BRANCHED ORGANOSILICON COMPOUND, METHOD OF PREPARING SAME, AND COPOLYMER FORMED THEREWITH DOW SILICONES CORPORATION 2022-03-17 US disclosed
EP-3906275-A1 BRANCHED ORGANOSILICON COMPOUND, METHOD OF PREPARING SAME, AND COMPOSITIONS COMPRISING SAME Dow Silicones Corporation (US) 2021-11-10 EP disclosed
EP-2120846-A2 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS BASF SE (DE) 2009-11-25 EP disclosed
WO-2008107347-A2 USE OF AMINES AND AMIDES FOR THE STABILIZATION OF ORGANIC MICRONIZED UV ABSORBERS BASF SE (CH) 2008-09-12 WO disclosed
EP-1408912-B1 TEMPERATURE INSENSITIVE ONE-PHASE MICROEMULSIONS DOW CORNING (US) 2007-03-07 EP disclosed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
EP-1408912-A2 TEMPERATURE INSENSITIVE ONE-PHASE MICROEMULSIONS Dow Corning Corporation (US) 2004-04-21 EP disclosed
EP-1052252-B1 Diaminobenzene derivatives and dyeing preparations containing them WELLA AG (DE) 2003-08-06 EP disclosed
WO-2003009819-A2 TEMPERATURE INSENSITIVE ONE-PHASE MICROEMULSIONS DOW CORNING CORPORATION (US) 2003-02-06 WO disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
US-6498197-B1 Temperature insensitive one-phase microemulsions DOW CORNING CORPORATION 2002-12-24 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 (3 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-11820846-B2 Composition, method of preparing copolymer, and methods and end uses thereof BRS3, OXSR1, OXER1 CASP1 3569/4885ALDH1A1 3354/4885CYP3A4 1655/4885
US-20220106337-A1 BRANCHED ORGANOSILICON COMPOUND, METHOD OF PREPARING SAME, AND COMPOSITIONS COMPRISING SAME NR3C2, NR2E3, OXSR1 CASP1 4284/4885ALDH1A1 4373/4885CYP3A4 2192/4885
US-20220119421-A1 BRANCHED ORGANOSILICON COMPOUND, METHOD OF PREPARING SAME, AND RELATED COMPOSITIONS BRS3, NPSR1, NR3C2 CASP1 4510/4885ALDH1A1 4384/4885CYP3A4 1535/4885

“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.