SCHEMBL17779231

SCHEMBL17779231

COc1cc(N)c(C(=O)N2CCCC2)cc1N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.49
HPGD P15428 4/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 6/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A3 P47895 1/20 0.43
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL17779290 0.99 KMT2A (0.55) MEN1KMT2AGAAHPGDLMNA
SCHEMBL17779282 0.90 POLB (0.48) MEN1KMT2AGAAHPGDLMNA
SCHEMBL17779277 0.85 KDM4E (0.50) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL12792248 0.83 MEN1 (0.59) MEN1KMT2AGAAHPGDLMNA
SCHEMBL12791638 0.82 KMT2A (0.57) MEN1KMT2AGAAHPGDLMNA
SCHEMBL12793408 0.82 KMT2A (0.57) MEN1KMT2AGAAHPGDLMNA
SCHEMBL17774978 0.81 HPGD (0.44) MEN1KMT2AGAAHPGDLMNA
SCHEMBL17774959 0.80 ALDH1A1 (0.46) MEN1KMT2AGAAHPGDLMNA
SCHEMBL17774955 0.77 HSD11B1 (0.51) MEN1KMT2AGAAHPGDLMNA
SCHEMBL20764155 0.77 MAPT (0.58) MEN1KMT2AGAALMNAALDH1A1

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-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR MEN1 4240/4885KMT2A 1157/4885GAA 872/4885

“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.