SCHEMBL5616611

SCHEMBL5616611

COc1ccc2c(c1)sc(=NN)n2CCCS(=O)(=O)O.NN=c1sc2cc(C(=O)O)ccc2n1CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.44
ALDH1A1 P00352 11/20 0.44
HPGD P15428 8/20 0.44
GAA P10253 4/20 0.44
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RXFP1 Q9HBX9 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HTT P42858 1/20 0.41
THRB P10828 1/20 0.38
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL4621389 0.89 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL4614265 0.89 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL4615646 0.82 RXFP1 (0.40) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL4616541 0.82 RXFP1 (0.40) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL4613923 0.78 S1PR1 (0.44) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL4613924 0.78 S1PR1 (0.44) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL5277645 0.77 ALDH1A1 (0.45) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL11316119 0.77 S1PR1 (0.43) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL4615649 0.75 HPGD (0.39) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL6526004 0.75 SMN1; SMN2 (0.47) KDM4EALDH1A1HPGDGAALMNA

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-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers Wella GmbH (DE) 2007-04-12 US claimed
US-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers Wella GmbH (DE) 2007-04-12 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-20070079452-A1 Agent and method for the oxidative coloring of keratin fibers KRT18, KIT, CKMT1A; CKMT1B KDM4E 1324/4885ALDH1A1 129/4885HPGD 220/4885

“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.