SCHEMBL4951981

SCHEMBL4951981

CNn1ccc2ccc(N)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
HTR6 P50406 3/20 0.40
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 6/20 0.38
MAPT P10636 5/20 0.38
NSD2 O96028 1/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
F2 P00734 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAOA P21397 1/20 0.38
DRD1 P21728 1/20 0.38
ACHE P22303 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL4949656 0.80 PRKCI (0.41) PRKCIHTR6ALDH1A1KDM4EMAPT
SCHEMBL4952905 0.80 PRKCI (0.41) PRKCIHTR6ALDH1A1KDM4EMAPT
SCHEMBL4949682 0.78 PRKCI (0.37) PRKCI
SCHEMBL4953140 0.75 SLC6A2 (0.49) PRKCIHTR6ALDH1A1KDM4EMAPT
SCHEMBL4952856 0.74 KDM4E (0.35) PRKCIHTR6ALDH1A1KDM4EMAPT
SCHEMBL398452 0.74 PRKCI (0.70) PRKCIHTR6ALDH1A1KDM4EMAPT
SCHEMBL29507010 0.74 PRKCI (0.70) PRKCIHTR6ALDH1A1KDM4EMAPT
SCHEMBL5718697 0.74 PRKCI (0.70) PRKCIHTR6ALDH1A1KDM4EMAPT
SCHEMBL4955532 0.73 PIK3CB (0.34) PRKCIALDH1A1KDM4EMAPTMEN1
SCHEMBL4955526 0.73 PIK3CB (0.34) PRKCIALDH1A1KDM4EMAPTMEN1

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 PRKCI 916/4885HTR6 1857/4885ALDH1A1 510/4885

“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.