SCHEMBL4949669

SCHEMBL4949669

Nc1cccc2cnn(Nc3ccccc3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
PTBP1 P26599 1/20 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
SCHEMBL4956712 0.81 KDM4E (0.41) ADRA2AADRA2BADRA2CALDH1A1KDM4E
SCHEMBL4955302 0.78 ADRA2A (0.38) ADRA2AADRA2BADRA2CALDH1A1KDM4E
SCHEMBL4953980 0.77 GPR68 (0.37) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL4954726 0.75 PDE10A (0.37) ADRA2AADRA2BADRA2CALDH1A1LMNA
SCHEMBL4956844 0.74 ADRA2A (0.36) ADRA2AADRA2BADRA2CLMNACYP1A2
SCHEMBL4956108 0.74 MKNK1 (0.41) ADRA2AADRA2BADRA2CALDH1A1KDM4E
SCHEMBL4914788 0.74 CYP1A2 (0.38) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL2946608 0.74 ADRA2A (0.55) ADRA2AADRA2BADRA2CALDH1A1KMT2A
SCHEMBL4956885 0.72 KDM4E (0.33) ADRA2AADRA2BADRA2CALDH1A1KDM4E
SCHEMBL4955602 0.70 SLC6A2 (0.42) ALDH1A1KDM4EMAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C ADRA2A 3939/4885ADRA2B 3839/4885ADRA2C 3055/4885

“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.