SCHEMBL21048199

SCHEMBL21048199

CN(C)CCOc1cc(N)cc(N)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
HTR7 P34969 3/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
HTR1B P28222 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 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
SCHEMBL7408768 0.83 ROCK2 (0.42) ROCK2HTR7KDM4EMAPTHTR1B
SCHEMBL21048208 0.81 ALDH1A1 (0.33) KDM4EMAPTMEN1USP2ALDH1A1
SCHEMBL11756564 0.79 KDM4E (0.64) ROCK2HTR7KDM4EMAPTHTR1B
SCHEMBL21048188 0.78 MAPT (0.41) KDM4EMAPTMEN1USP2ALDH1A1
SCHEMBL21048190 0.77 KDM4E (0.43) KDM4EMAPTHTR1BMEN1USP2
SCHEMBL4045745 0.76 HTR7 (0.49) HTR7KDM4EMAPTALDH1A1GAA
SCHEMBL21048195 0.76 KMT2A (0.38) KDM4EMAPTMEN1USP2ALDH1A1
SCHEMBL21048197 0.75 HTR1B (0.41) KDM4EMAPTHTR1BMEN1USP2
SCHEMBL21048193 0.75 NCF1 (0.43) KDM4EMAPTMEN1USP2ALDH1A1
SCHEMBL21048194 0.74 MAPT (0.38) KDM4EMAPTMEN1USP2ALDH1A1

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-10617618-B2 Agent for oxidative dyeing of hair containing anisole derivatives HENKEL AG & CO. KGAA (DE) 2020-04-14 US claimed
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2019-06-06 US claimed
US-10617618-B2 Agent for oxidative dyeing of hair containing anisole derivatives HENKEL AG & CO. KGAA (DE) 2020-04-14 US disclosed
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2019-06-06 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 (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-10617618-B2 Agent for oxidative dyeing of hair containing anisole derivatives KRT18, COXFA4L2, KAT5 ROCK2 3422/4885HTR7 2015/4885KDM4E 905/4885
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES KRT18, COXFA4L2, KAT5 ROCK2 3422/4885HTR7 2015/4885KDM4E 905/4885

“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.