SCHEMBL5371928

SCHEMBL5371928

CC(C)=NN=c1sc2cc(C(=O)O)ccc2n1CCO

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.38
RXFP1 Q9HBX9 3/20 0.38
TP53 P04637 2/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HCAR3 P49019 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
PTGER4 P35408 1/20 0.35

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
SCHEMBL5289607 1.00 HPGD (0.38) HPGDRXFP1TP53KDM4EMAPT
SCHEMBL5277822 0.84 RXFP1 (0.44) RXFP1TP53KDM4EMAPTLMNA
SCHEMBL5281751 0.84 RXFP1 (0.44) RXFP1TP53KDM4EMAPTLMNA
SCHEMBL5289612 0.83 ALDH1A1 (0.40) HPGDRXFP1TP53KDM4EMAPT
SCHEMBL4615646 0.83 RXFP1 (0.40) HPGDRXFP1TP53KDM4EMAPT
SCHEMBL4616541 0.83 RXFP1 (0.40) HPGDRXFP1TP53KDM4EMAPT
SCHEMBL5283843 0.78 MAPT (0.45) TP53MAPTLMNAALDH1A1NPSR1
SCHEMBL4616566 0.69 RXFP1 (0.47) RXFP1TP53KDM4EMAPTLMNA
SCHEMBL4616325 0.69 RXFP1 (0.47) RXFP1TP53KDM4EMAPTLMNA
SCHEMBL5283946 0.68 ALDH1A1 (0.48) HPGDRXFP1TP53KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294151-B2 Means and method for dyeing keratin fibres WELLA AG (DE) 2007-11-13 US disclosed
US-20060070190-A1 Means and method for dyeing keratin fibres KOYO SEIKO CO., LTD. (JP) 2006-04-06 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 (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-20060070190-A1 Means and method for dyeing keratin fibres KRT18, KLK5, KIT HPGD 623/4885RXFP1 4132/4885TP53 2281/4885

“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.