SCHEMBL3874982

SCHEMBL3874982

Nc1ccc(NCc2ccsc2)c2sc3ccccc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
EGFR P00533 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
APP P05067 3/20 0.35
MAPT P10636 3/20 0.35
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
PNP P00491 1/20 0.33
GRM5 P41594 1/20 0.33
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
IDO1 P14902 1/20 0.31
CHRM2 P08172 2/20 0.31
HTR1A P08908 2/20 0.31
ADRA2A P08913 2/20 0.31
CHRM1 P11229 2/20 0.31
TBXA2R P21731 2/20 0.31
SLC6A2 P23975 2/20 0.31

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
SCHEMBL3886264 0.91 APP (0.40) NPC1EGFRKDM4CAPPMAPT
SCHEMBL3884251 0.79 POLB (0.39) NPC1KDM4CMAPTADORA3ADORA2A
SCHEMBL3873227 0.77 IDO1 (0.41) APPMAPTADORA3TOP2ATOP2B
SCHEMBL3878273 0.76 HPGD (0.40) NPC1EGFRKDM4CADORA3ADORA2A
SCHEMBL3874937 0.76 PNP (0.39) NPC1EGFRKDM4CAPPMAPT
SCHEMBL3884667 0.75 RAB9A (0.45) NPC1MAPTADORA3ADORA2AADORA2B
SCHEMBL3885461 0.75 MAPT (0.42) NPC1APPMAPTADORA3TOP2A
SCHEMBL5713472 0.75 IDO1 (0.44) APPMAPTADORA3TOP2ATOP2B
SCHEMBL3874939 0.73 IGF1R (0.42) NPC1EGFRKDM4CMAPTADORA3
SCHEMBL3879223 0.73 PNP (0.39) NPC1EGFRKDM4CMAPTPNP

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 NPC1 4617/4885EGFR 1697/4885KDM4C 453/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 NPC1 4617/4885EGFR 1697/4885KDM4C 453/4885

“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.