SCHEMBL4956552

SCHEMBL4956552

COn1ncc2c(N)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 4/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL4951572 0.81 MKNK1 (0.38) MKNK1MKNK2DDB1CRBNALDH1A1
SCHEMBL4954408 0.81 MKNK1 (0.38) MKNK1MKNK2DDB1CRBNALDH1A1
SCHEMBL3536463 0.80 NPC1 (0.45) CYP1A2KMT2AMEN1NPC1RAB9A
SCHEMBL27653220 0.79 DDB1 (0.38) MKNK1MKNK2DDB1CRBNALDH1A1
SCHEMBL4953840 0.79 MAPT (0.34) ALDH1A1CYP3A4HSD17B10TSHRHPGD
SCHEMBL4954045 0.78 MKNK1 (0.38) MKNK1MKNK2DDB1CRBNALDH1A1
Hydrochloric Acid SCHEMBL27653306 0.78 DDB1 (0.37) MKNK1MKNK2DDB1CRBNALDH1A1
SCHEMBL4953995 0.76 MKNK1 (0.36) MKNK1MKNK2DDB1CRBNALDH1A1
SCHEMBL619809 0.76 MKNK1 (0.43) MKNK1MKNK2DDB1CRBNALDH1A1
SCHEMBL30006645 0.76 MKNK1 (0.43) MKNK1MKNK2DDB1CRBNALDH1A1

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
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
EP-1781379-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026495-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C MKNK1 1060/4885MKNK2 1039/4885DDB1 977/4885

“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.