SCHEMBL3878069

SCHEMBL3878069

Cc1cc(NCCO)c2c(sc3ccccc32)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
MAPT P10636 5/20 0.40
CHRM2 P08172 2/20 0.40
HTR1A P08908 2/20 0.40
ADRA2A P08913 2/20 0.40
CHRM1 P11229 2/20 0.40
TBXA2R P21731 2/20 0.40
SLC6A2 P23975 2/20 0.40
APEX1 P27695 2/20 0.40
SLC6A4 P31645 2/20 0.40
ADRA1A P35348 2/20 0.40
OPRM1 P35372 2/20 0.40
DRD3 P35462 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
APP P05067 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAOA P21397 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL3886249 0.93 MAPT (0.39) CYP2C19MAPTCHRM2HTR1AADRA2A
SCHEMBL3879167 0.90 CYP2C19 (0.40) CYP2C19MAPTCHRM2HTR1AADRA2A
SCHEMBL3885255 0.86 MAPT (0.40) MAPTCHRM2HTR1AADRA2ACHRM1
SCHEMBL3876862 0.83 MAPT (0.39) CYP2C19MAPTCHRM2HTR1AADRA2A
SCHEMBL3886192 0.79 APP (0.46) CYP2C19MAPTCHRM2HTR1AADRA2A
SCHEMBL3885461 0.78 MAPT (0.42) CYP2C19MAPTCHRM2HTR1AADRA2A
SCHEMBL3887742 0.77 ALDH1A1 (0.47) MAPTMAOALMNAPOLBKMT2A
SCHEMBL3886481 0.75 MAPT (0.40) MAPTCHRM2HTR1AADRA2ACHRM1
SCHEMBL3887852 0.75 ALDH1A1 (0.41) MAPTLMNAPOLBKMT2AHTT
SCHEMBL3885302 0.75 ALDH1A1 (0.36) MAPTCHRM2HTR1AADRA2ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 CYP2C19 1869/4885MAPT 420/4885CHRM2 3171/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 CYP2C19 1869/4885MAPT 420/4885CHRM2 3171/4885

“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.