SCHEMBL6287541

SCHEMBL6287541

COc1cc2c(cc1N)CCN2CCNC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SIGMAR1 Q99720 5/20 0.40
DRD3 P35462 4/20 0.40
HTR4 Q13639 2/20 0.40
DRD2 P14416 2/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DRD4 P21917 3/20 0.38
LMNA P02545 2/20 0.37
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL27580531 0.76 POLB (0.37) HDAC1HDAC6
SCHEMBL1770654 0.76 MTNR1A (0.46) SIGMAR1HDAC1HDAC6DRD4
SCHEMBL2060997 0.76 SIGMAR1 (0.51) SIGMAR1DRD3HTR4DRD2DRD4
SCHEMBL14980805 0.73 ALDH1A1 (0.45) HDAC1HDAC6
SCHEMBL6287539 0.72 ALDH1A1 (0.37) DRD3DRD2DRD4LMNA
SCHEMBL1770973 0.72 MTNR1A (0.47) DRD3DRD2DRD4
SCHEMBL20939536 0.71 NOTUM (0.57) LMNA
SCHEMBL2203691 0.71 MAPT (0.50) DRD3LMNA
SCHEMBL2206199 0.71 DRD2 (0.39) DRD2HDAC1HDAC6
SCHEMBL1770307 0.70 MTNR1A (0.47) DRD3DRD2DRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same LANG GERARD (FR) 2004-05-13 US claimed
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-09-11 US claimed
US-20030159221-A1 Oxidation dyeing composition for keratinous fibres with a particular paraphenylene-diamine derivative and a particular direct dyeing agent L'OREAL S.A. (FR) 2003-08-28 US claimed
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-02-13 US claimed
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same L'OREAL S.A. (FR) 2003-01-16 US claimed
EP-1263398-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2002-12-11 EP claimed
EP-1263399-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2002-12-11 EP claimed
EP-1263397-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES WITH A PARTICULAR PARAPHENYLENEDIAMINE DERIVATIVE AND A PARTICULAR DIRECT DYEING AGENT L'OREAL (FR) 2002-12-11 EP claimed
EP-1181005-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2002-02-27 EP claimed
EP-1181004-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2002-02-27 EP claimed
WO-2001066071-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2001-09-13 WO claimed
WO-2001066072-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2001-09-13 WO claimed
WO-2001066070-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2001-09-13 WO claimed
WO-2001066068-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES WITH A PARTICULAR PARAPHENYLENEDIAMINE DERIVATIVE AND A PARTICULAR DIRECT DYEING AGENT L'OREAL (FR) 2001-09-13 WO claimed
WO-2001066069-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2001-09-13 WO claimed
US-6890362-B2 Oxidation dyeing composition for keratinous fibers and dyeing method using same L'OREAL, S.A. (FR) 2005-05-10 US disclosed
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same LANG GERARD (FR) 2004-05-13 US disclosed
WO-2001066072-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2001-09-13 WO disclosed
WO-2001066068-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES WITH A PARTICULAR PARAPHENYLENEDIAMINE DERIVATIVE AND A PARTICULAR DIRECT DYEING AGENT L'OREAL (FR) 2001-09-13 WO disclosed
WO-2001066069-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES AND DYEING METHOD USING SAME L'OREAL (FR) 2001-09-13 WO 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 (5 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-20030159221-A1 Oxidation dyeing composition for keratinous fibres with a particular paraphenylene-diamine derivative and a particular direct dyeing agent KRT18, CDC73, DAO PDE4A 3029/4885PDE4B 3514/4885PDE4C 3536/4885
US-20030028977-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, NDUFB5, NDUFB4 PDE4A 3452/4885PDE4B 3575/4885PDE4C 3726/4885
US-20030167579-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, COXFA4L2 PDE4A 3097/4885PDE4B 3508/4885PDE4C 3401/4885
US-20040088798-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, OAT, ACOX1 PDE4A 4391/4885PDE4B 4441/4885PDE4C 4499/4885
US-20030009835-A1 Oxidation dyeing composition for keratinous fibres and dyeing method using same KRT18, PPOX, NDUFB5 PDE4A 3970/4885PDE4B 4236/4885PDE4C 4216/4885

“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.