SCHEMBL1046277

SCHEMBL1046277

CCN1c2cc(Cl)c(Cl)cc2N(CC)C1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.44
GRIA2 P42262 4/20 0.44
GRIA3 P42263 4/20 0.44
GRIA4 P48058 4/20 0.44
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
P2RX7 Q99572 1/20 0.33
PTPN1 P18031 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL6292907 0.87 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4KDM4E
Bromide SCHEMBL11597934 0.84 GRIA1 (0.35) GRIA1GRIA2GRIA3GRIA4
Iodide SCHEMBL9623168 0.76 PTGER4 (0.39) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL16525690 0.71 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL17417948 0.69 SNCA (0.45) PKMSNCA
SCHEMBL17417947 0.69 SNCA (0.45) PKMSNCA
SCHEMBL1412808 0.69 MEN1 (0.34) GRIA1GRIA2GRIA3GRIA4ALDH1A1
Iodide SCHEMBL9462116 0.66
SCHEMBL10780451 0.65 SIGMAR1 (0.34) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL10133972 0.64 SNCA (0.35) GRIA1GRIA2GRIA3GRIA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 US claimed
EP-2205681-B1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION OREAL (FR) 2011-08-31 EP claimed
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL S.A. (FR) 2011-01-27 US claimed
EP-1235549-B1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KGAA (DE) 2006-11-29 EP claimed
EP-1200051-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2006-02-01 EP claimed
US-6790239-B1 COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-09-14 US claimed
US-6770102-B1 AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS; DOES NOT REQUIRE OXIDIZING AGENT; BRILLIANCE; COLOR DEPTH; WIDE VARIETY OF SHADES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-08-03 US claimed
EP-2205681-B1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION OREAL (FR) 2011-08-31 EP disclosed
US-7060109-B2 Hair dyeing agents containing indigo derivatives HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGA A) (DE) 2006-06-13 US disclosed
US-20050244976-A1 Methods for detecting anionic and non-anionic compositions using carbocyanine dyes MOLECULAR PROBES, INC. 2005-11-03 US disclosed
WO-2005083394-A2 METHODS FOR DETECTING ANIONIC AND NON-ANIONIC PROTEINS USING CARBOCYANINE DYES MOLECULAR PROBES, INC. (US) 2005-09-09 WO disclosed
US-6790239-B1 COMBINATION OF AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-09-14 US disclosed
US-6770102-B1 AROMATIC ALDEHYDES OR KETONES AND CH-ACTIVE COMPOUNDS; DOES NOT REQUIRE OXIDIZING AGENT; BRILLIANCE; COLOR DEPTH; WIDE VARIETY OF SHADES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-08-03 US disclosed
US-20040031108-A1 Hair dyeing agents containing indigo derivatives HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-02-19 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 (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-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION KRT18, SQOR, TST GRIA1 3497/4885GRIA2 3645/4885GRIA3 3991/4885
US-20040031108-A1 Hair dyeing agents containing indigo derivatives KRT18, BBOX1, BRDT GRIA1 3591/4885GRIA2 3939/4885GRIA3 3206/4885
US-20050244976-A1 Methods for detecting anionic and non-anionic compositions using carbocyanine dyes ANXA5, ANXA4, ANXA3 GRIA1 1728/4885GRIA2 1952/4885GRIA3 1542/4885

“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.