SCHEMBL5505517

SCHEMBL5505517

Nc1nc2c(NCCO)ccc(N)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
CXCR2 P25025 1/20 0.36
TNIK Q9UKE5 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2C19 P33261 2/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.33
PDPK1 O15530 1/20 0.32
ALDH1A1 P00352 3/20 0.32
ILK Q13418 1/20 0.32
GLA P06280 2/20 0.31
GAA P10253 2/20 0.31
MITF O75030 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL5502179 0.81 SMN1; SMN2 (0.39) SMN1; SMN2MAPTKDM4ETDP1HTT
SCHEMBL5505826 0.80 KDM4E (0.33) SMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL5507028 0.80 POLB (0.34) TNIKMAPTKDM4EMAPK1TSHR
SCHEMBL5507645 0.76 IKBKB (0.41) PAK4KMT2AMAPTKDM4EMAPK1
SCHEMBL13475603 0.76 CYP3A4 (0.43) PAK4SMN1; SMN2MAPTKDM4ETSHR
SCHEMBL5505210 0.76 MAPT (0.36) TNIKKMT2AMAPTKDM4EMAPK1
SCHEMBL5506726 0.76 SMN1; SMN2 (0.42) SMN1; SMN2MAPTMAPK1TDP1HTT
SCHEMBL5505676 0.72 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMAPTMAPK1TSHR
SCHEMBL5508129 0.71 TLR8 (0.40) PAK4CXCR2TNIKKDM4EMAPK1
SCHEMBL5509108 0.71 SMN1; SMN2 (0.38) SMN1; SMN2HTTPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP claimed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO claimed
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2006-07-27 US claimed
EP-1846108-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4,7-DIAMINES, AND USE THEREOF The Procter & Gamble Company (US) 2007-10-24 EP disclosed
WO-2006078800-A2 KERATIN DYEING COMPOSITIONS CONTAINING BENZOTHIAZOLE-4-, 7-DIAMINES, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-07-27 WO disclosed
US-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2006-07-27 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-20060162099-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, DSP, KRTCAP2 PAK4 2433/4885SMN1; SMN2 4645/4885CXCR2 4712/4885

“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.