SCHEMBL4430654

SCHEMBL4430654

Nc1cc2sccc2c2ccsc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.36
KDM4E B2RXH2 3/20 0.34
TERT O14746 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 1/20 0.32
HTT P42858 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
LMNA P02545 1/20 0.32
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
MAP4K4 O95819 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 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
SCHEMBL4424828 0.74 KDM4E (0.34) KDM4EMAPTALDH1A1HPGDPPARG
SCHEMBL26080844 0.74 KDM4E (0.42) KDM4EMAPTALDH1A1HPGDPPARG
SCHEMBL4418719 0.72 DYRK1A (0.35) DYRK1AKDM4ETERTMAPTALDH1A1
SCHEMBL4423464 0.71 LMNA (0.31) KDM4EMAPTLMNA
SCHEMBL4420012 0.71 NEK1 (0.32) DYRK1AALDH1A1TDP1NEK1
SCHEMBL4421176 0.71 DYRK1A (0.37) DYRK1ATERTMAPTCHEK1AURKA
SCHEMBL15910718 0.68 KDM4E (0.41) KDM4EMAPTALDH1A1HTTTDP1
SCHEMBL2498909 0.67 KDM4E (0.45) DYRK1AKDM4EMAPTALDH1A1HPGD
SCHEMBL29352476 0.67 KDM4E (0.45) DYRK1AKDM4EMAPTALDH1A1HPGD
SCHEMBL10085119 0.66 TERT (0.48) DYRK1ATERTMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 DYRK1A 2218/4885KDM4E 1418/4885TERT 616/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 DYRK1A 2218/4885KDM4E 1418/4885TERT 616/4885

“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.