SCHEMBL4796779

SCHEMBL4796779

CCCCCCCCCCCCCCCCOc1ccc2c(c1)sc(=NN)n2C(CC)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
S1PR1 P21453 1/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 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
SCHEMBL11316119 0.80 S1PR1 (0.43) LMNASMN1; SMN2PKMNPSR1S1PR1
SCHEMBL4613923 0.79 S1PR1 (0.44) LMNASMN1; SMN2PKMNPSR1S1PR1
SCHEMBL4613924 0.79 S1PR1 (0.44) LMNASMN1; SMN2PKMNPSR1S1PR1
SCHEMBL5370569 0.70 S1PR1 (0.39) LMNASMN1; SMN2PKMNPSR1S1PR1
SCHEMBL5294128 0.70 S1PR1 (0.39) LMNASMN1; SMN2PKMNPSR1S1PR1
SCHEMBL11316106 0.68 CNR2 (0.50) SMN1; SMN2S1PR1HPGDNPC1RAB9A
SCHEMBL11320819 0.68 S1PR1 (0.43) LMNASMN1; SMN2PKMS1PR1TP53
SCHEMBL4615570 0.67 MAPT (0.48) LMNASMN1; SMN2PKMNPSR1TP53
SCHEMBL4615579 0.65 MAPT (0.61) LMNASMN1; SMN2PKMNPSR1TP53
SCHEMBL347830 0.64 NR5A1 (0.51) TP53MAPTKDM4ENR5A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429274-B2 Agent and method for the oxidative coloring of keratin fibers WELLA AG (DE) 2008-09-30 US claimed
US-7244278-B2 Agent and method for oxidative coloring of keratin fibers WELLA AG (DE) 2007-07-17 US claimed
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2007-03-29 US claimed

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-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 LMNA 90/4885SMN1; SMN2 3816/4885PKM 80/4885

“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.