SCHEMBL17779283

SCHEMBL17779283

CNC(=O)c1cc(N2CCCCC2)ccc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.66
IKBKB O14920 1/20 0.54
MAPT P10636 7/20 0.51
ALDH1A1 P00352 6/20 0.51
GAA P10253 4/20 0.51
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
S100B P04271 2/20 0.51
LMNA P02545 2/20 0.51
PKM P14618 2/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
ALOX15 P16050 1/20 0.51
HDAC1 Q13547 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
CYP1A2 P05177 2/20 0.45

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
SCHEMBL17779230 0.98 IP6K1 (0.68) IP6K1IKBKBMAPTALDH1A1GAA
SCHEMBL1558664 0.87 MAPT (0.55) IP6K1MAPTALDH1A1GAAKMT2A
SCHEMBL40490 0.87 IP6K1 (0.68) IP6K1IKBKBMAPTALDH1A1GAA
SCHEMBL20209314 0.86 IP6K1 (0.62) IP6K1IKBKBMAPTALDH1A1GAA
SCHEMBL1231926 0.86 LGMN (0.54) IP6K1MAPTALDH1A1KMT2APKM
SCHEMBL11736864 0.83 IP6K1 (0.71) IP6K1MAPTALDH1A1GAAKMT2A
SCHEMBL40467 0.82 IP6K1 (0.66) IP6K1MAPTALDH1A1GAAKMT2A
SCHEMBL8871236 0.81 IP6K1 (0.97) IP6K1MAPTALDH1A1GAAKMT2A
SCHEMBL2060966 0.81 IP6K1 (0.73) IP6K1IKBKBMAPTALDH1A1GAA
SCHEMBL341383 0.81 IP6K1 (0.73) IP6K1MAPTALDH1A1GAAKMT2A

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 IP6K1 4489/4885IKBKB 3089/4885MAPT 2197/4885

“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.