SCHEMBL6152910

SCHEMBL6152910

CS(=O)(=O)N1CCN(c2ccc(N)cc2)CCN(S(C)(=O)=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
KMT2A Q03164 6/20 0.58
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 5/20 0.58
GFER P55789 4/20 0.58
GAA P10253 4/20 0.58
ADRA2C P18825 1/20 0.58
PTK2B Q14289 1/20 0.58
ESR2 Q92731 1/20 0.58
CASP6 P55212 1/20 0.54
POLB P06746 3/20 0.54
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
RAD52 P43351 1/20 0.53
MEN1 O00255 5/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51

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
SCHEMBL1926789 1.00 MAPT (0.58) MAPTKMT2AALDH1A1KDM4EGFER
SCHEMBL14320887 0.93 MAPT (0.53) MAPTKMT2AALDH1A1KDM4EGFER
SCHEMBL900049 0.84 MAPT (0.61) MAPTKMT2AALDH1A1KDM4EGFER
SCHEMBL82680 0.83 MEN1 (0.69) MAPTKMT2AALDH1A1KDM4EGAA
SCHEMBL11977001 0.82 MEN1 (0.52) MAPTKMT2AALDH1A1KDM4EGAA
SCHEMBL6975910 0.82 MAPT (0.45) MAPTKMT2AALDH1A1KDM4EGFER
SCHEMBL974007 0.81 POLB (0.54) MAPTKMT2AALDH1A1KDM4EGAA
SCHEMBL941084 0.81 ALDH1A1 (0.65) MAPTKMT2AALDH1A1GFERPOLB
SCHEMBL22495385 0.81 MAPT (0.58) MAPTKMT2AALDH1A1KDM4EGFER
SCHEMBL20004452 0.81 POLB (0.54) MAPTKMT2AALDH1A1KDM4EGAA

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-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres L'OREAL S.A. (FR) 2005-06-09 US claimed
EP-1518860-A1 Triazacyclononane derivatives substituted on at least one of the nitrogene atoms by a 4-aminophenyle group for dyeing keratinic fibres L'OREAL (FR) 2005-03-30 EP 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-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres KRT18, TUBB6, TUBB1 MAPT 945/4885KMT2A 1671/4885ALDH1A1 741/4885

“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.