SCHEMBL3389993

SCHEMBL3389993

c1cc2ccc3ncc[nH]c3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 3/20 0.45
ADRA2C P18825 3/20 0.45
ADRA2B P18089 2/20 0.45
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
GSK3B P49841 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
RAB9A P51151 3/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
AR P10275 2/20 0.36
NR4A2 P43354 1/20 0.35
KIF11 P52732 1/20 0.35
NPC1 O15118 2/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL4144107 0.77 CYP3A4 (0.47) CYP3A4LMNAKDM4EMAPTRAB9A
SCHEMBL31531653 0.77 CYP3A4 (0.47) CYP3A4LMNAKDM4EMAPTRAB9A
SCHEMBL1147248 0.76 KDM4E (0.39) ADRA2AADRA2CKDM4EMAPTRAB9A
SCHEMBL30049919 0.75 CYP19A1 (0.38) ADRA2AADRA2CKDM4EMAPTRAB9A
SCHEMBL4486896 0.74 RAD52 (0.39) CYP3A4ADRA2AADRA2CADRA2BLMNA
SCHEMBL4503223 0.73 MAPK10 (0.50) CYP3A4ADRA2AADRA2CADRA2BLMNA
SCHEMBL29666517 0.72 KDM4E (0.53) LMNAKDM4EMAPTRAB9ANPC1
SCHEMBL3190092 0.71 AHR (0.45) CYP3A4KDM4ERAB9ASIRT2SIRT1
SCHEMBL1395066 0.70 TGFBR1 (0.36) ADRA2AADRA2CKDM4EMAPTSMN1; SMN2
SCHEMBL29852620 0.70 MAPT (0.54) CYP3A4LMNAKDM4EMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292269-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-09 EP claimed
US-20230158156-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-05-25 US disclosed
EP-1432390-B2 DYEING COMPOSITION WITH A BRIGHTENING EFFECT FOR HAIR ORÉAL L (FR) 2015-04-15 EP disclosed
EP-1432390-B1 DYEING COMPOSITION WITH A BRIGHTENING EFFECT FOR HAIR OREAL (FR) 2010-12-15 EP disclosed
US-7217296-B2 Dyeing composition with a lightening effect for human keratin materials comprising at least one fluorescent dye L'OREAL S.A. (FR) 2007-05-15 US disclosed
EP-1292268-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-23 EP disclosed
US-20050028301-A1 Dyeing composition with a brightening effect for human kerationous fibres L'OREAL S.A. (FR) 2005-02-10 US disclosed
EP-1292269-B1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2005-02-09 EP disclosed
EP-1432390-A1 DYEING COMPOSITION WITH A BRIGHTENING EFFECT FOR HUMAN KERATINOUS FIBRES L'OREAL (FR) 2004-06-30 EP disclosed
WO-2003028685-A1 DYEING COMPOSITION WITH A BRIGHTENING EFFECT FOR HUMAN KERATINOUS FIBRES L'OREAL (FR) 2003-04-10 WO disclosed
EP-1292268-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP disclosed
EP-1292269-A1 AGENT FOR DYEING KERATIN CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP disclosed
WO-2001097764-A3 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2002-05-23 WO disclosed
WO-2001097764-A2 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 WO disclosed
WO-2001097765-A1 AGENT FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 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 (2 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-20050028301-A1 Dyeing composition with a brightening effect for human kerationous fibres KRT18, IK, KIF5B CYP3A4 2144/4885ADRA2A 4176/4885ADRA2C 3849/4885
US-20230158156-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF EFTUD2, SNRPE, DDX21 CYP3A4 4823/4885ADRA2A 4683/4885ADRA2C 4647/4885

“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.