SCHEMBL3885461

SCHEMBL3885461

Nc1ccc(NCCO)c2sc3ccccc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
HIF1A Q16665 2/20 0.42
CHRM2 P08172 2/20 0.42
HTR1A P08908 2/20 0.42
ADRA2A P08913 2/20 0.42
CHRM1 P11229 2/20 0.42
TBXA2R P21731 2/20 0.42
SLC6A2 P23975 2/20 0.42
APEX1 P27695 2/20 0.42
SLC6A4 P31645 2/20 0.42
ADRA1A P35348 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42

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
SCHEMBL3876210 0.92 APP (0.43) MAPTRAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL3886192 0.90 APP (0.46) MAPTRAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL5713472 0.86 IDO1 (0.44) MAPTRAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL3873227 0.82 IDO1 (0.41) MAPTRAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL3880326 0.82 APP (0.49) MAPTRAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL3879167 0.80 CYP2C19 (0.40) MAPTRAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL3878069 0.78 CYP2C19 (0.40) MAPTRAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL3882237 0.76 GPR3 (0.46) MAPTRAB9ASMN1; SMN2KMT2AAPP
SCHEMBL3884251 0.76 POLB (0.39) MAPTRAB9ALMNAPOLBSMN1; SMN2
SCHEMBL3874982 0.75 NPC1 (0.39) MAPTRAB9ACYP1A2CYP3A4CYP2D6

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 MAPT 420/4885RAB9A 4019/4885CYP1A2 962/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAPT 420/4885RAB9A 4019/4885CYP1A2 962/4885

“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.