SCHEMBL2313644

SCHEMBL2313644

CN1CCN(c2c(C=O)c3ccccc3n2C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
CYP1A2 P05177 2/20 0.48
POLB P06746 2/20 0.48
CYP2C19 P33261 2/20 0.48
SMN1; SMN2 Q16637 7/20 0.47
HTT P42858 8/20 0.45
NPSR1 Q6W5P4 7/20 0.45
MAPT P10636 6/20 0.45
HPGD P15428 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP3A4 P08684 1/20 0.45
ATM Q13315 2/20 0.44
NOD2 Q9HC29 1/20 0.44
HTR6 P50406 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 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
SCHEMBL2344306 0.85 HTR2A (0.53) LMNAALDH1A1GAACYP1A2POLB
SCHEMBL10067358 0.78 KMT2A (0.46) LMNAGAACYP1A2HTR6MEN1
SCHEMBL2345067 0.77 HTR6 (0.40) LMNAALDH1A1CYP1A2HPGDCYP3A4
SCHEMBL5472616 0.74 MEN1 (0.59) LMNAALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5472611 0.74 MEN1 (0.59) LMNAALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL12432042 0.73 LMNA (0.41) LMNAALDH1A1GAACYP1A2SMN1; SMN2
SCHEMBL1792194 0.72 ALDH1A1 (0.62) LMNAALDH1A1GAACYP1A2POLB
SCHEMBL30534146 0.72 ALDH1A1 (0.62) LMNAALDH1A1GAACYP1A2POLB
SCHEMBL14519065 0.70 ALDH1A1 (0.60) LMNAALDH1A1GAACYP1A2POLB
SCHEMBL8998884 0.70 ALDH1A1 (0.60) LMNAALDH1A1CYP1A2POLBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039724-B1 Indole-derived styryl dye comprising an alkylene linker, dye composition comprising this dye, process for lightening keratin materials using this dye OREAL (FR) 2011-08-03 EP disclosed
EP-2039724-B1 Indole-derived styryl dye comprising an alkylene linker, dye composition comprising this dye, process for lightening keratin materials using this dye OREAL (FR) 2011-08-03 EP disclosed
US-7744658-B2 Indole-derived styryl dye comprising an alkylene linker, a dye composition comprising this dye, and a process for lightening keratin materials using this dye L'OREAL S.A. (FR) 2010-06-29 US disclosed
US-7744658-B2 Indole-derived styryl dye comprising an alkylene linker, a dye composition comprising this dye, and a process for lightening keratin materials using this dye L'OREAL S.A. (FR) 2010-06-29 US disclosed
US-7744658-B2 Indole-derived styryl dye comprising an alkylene linker, a dye composition comprising this dye, and a process for lightening keratin materials using this dye L'OREAL S.A. (FR) 2010-06-29 US disclosed
US-20090089939-A1 INDOLE-DERIVED STYRYL DYE COMPRISING AN ALKYLENE LINKER, A DYE COMPOSITION COMPRISING THIS DYE, AND A PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL S.A. (FR) 2009-04-09 US disclosed
US-20090089939-A1 INDOLE-DERIVED STYRYL DYE COMPRISING AN ALKYLENE LINKER, A DYE COMPOSITION COMPRISING THIS DYE, AND A PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL S.A. (FR) 2009-04-09 US disclosed
US-20090089939-A1 INDOLE-DERIVED STYRYL DYE COMPRISING AN ALKYLENE LINKER, A DYE COMPOSITION COMPRISING THIS DYE, AND A PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL S.A. (FR) 2009-04-09 US disclosed
EP-2039724-A1 Indole-derived styryl dye comprising an alkylene linker, dye composition comprising this dye, process for lightening keratin materials using this dye L'Oréal (FR) 2009-03-25 EP disclosed
EP-2039724-A1 Indole-derived styryl dye comprising an alkylene linker, dye composition comprising this dye, process for lightening keratin materials using this dye L'Oréal (FR) 2009-03-25 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-20090089939-A1 INDOLE-DERIVED STYRYL DYE COMPRISING AN ALKYLENE LINKER, A DYE COMPOSITION COMPRISING THIS DYE, AND A PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE KRT18, VIM, CYBA LMNA 660/4885ALDH1A1 258/4885GAA 4809/4885

“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.