SCHEMBL3381516

SCHEMBL3381516

CC/N=c1\cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)N(CCC[N+](C)(C)C)C(=O)c3ccccc3-c3c4cc(C)/c(=N/CC)cc-4oc4cc(NCC)c(C)cc34)c-2cc1C

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ BRCA1 P38398 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ FTO Q9C0B1 2/20 0.31

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
SCHEMBL3380406 1.00 KDM4E (0.31) KDM4EMEN1USP2CYP3A4MAPT
SCHEMBL3381866 0.94 KDM4E (0.30) KDM4EMAPT
SCHEMBL22247631 0.85 FTO (0.33) KDM4EMEN1USP2CYP3A4MAPT
SCHEMBL14078007 0.85 MEN1 (0.32) KDM4EMEN1USP2CYP3A4MAPT
SCHEMBL14078004 0.85 KDM4E (0.31) KDM4EMEN1USP2CYP3A4MAPT
SCHEMBL9915064 0.85 FTO (0.43) KDM4EMEN1USP2CYP3A4MAPT
SCHEMBL1095520 0.85 FTO (0.43) KDM4EMEN1USP2CYP3A4MAPT
SCHEMBL13428306 0.85 FTO (0.35) KDM4EMEN1USP2CYP3A4MAPT
SCHEMBL3626595 0.85 FTO (0.43) KDM4EMEN1USP2CYP3A4MAPT
SCHEMBL18258300 0.84 KDM4E (0.34) KDM4EMEN1USP2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1433473-B1 Dyeing composition containing a specific polycationic direct dye, method of dyeing, use and multicompartment device OREAL (FR) 2010-11-17 — — EP claimed
US-7241319-B2 Dye composition comprising at least one polycationic direct dye, dyeing processes, uses, and multi-compartment devices L'OREAL S.A. (FR) 2007-07-10 — — US claimed
US-20040194229-A1 Dye composition comprising at least one polycationic direct dye, dyeing processes, uses, and multi-compartment devices L'OREAL S.A. (FR) 2004-10-07 — — US claimed
US-7241319-B2 Dye composition comprising at least one polycationic direct dye, dyeing processes, uses, and multi-compartment devices L'OREAL S.A. (FR) 2007-07-10 — — US disclosed
US-20040194229-A1 Dye composition comprising at least one polycationic direct dye, dyeing processes, uses, and multi-compartment devices L'OREAL S.A. (FR) 2004-10-07 — — 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-20040194229-A1 Dye composition comprising at least one polycationic direct dye, dyeing processes, uses, and multi-compartment devices COL14A1, COL1A1, KRT18 KDM4E 1385/4885MEN1 737/4885USP2 4016/4885

“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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