SCHEMBL2299404

SCHEMBL2299404

CNC(=O)c1cc(N)ccc1N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
GAA P10253 4/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.38
THRB P10828 2/20 0.38
RECQL P46063 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
APEX1 P27695 1/20 0.38
BLM P54132 1/20 0.38
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL17774806 0.82 ALOX5 (0.42) ALOX5GAAMAPTMAPK1ALDH1A1
SCHEMBL22445648 0.81 EGFR (0.42) ALOX5GAAMAPTMAPK1ALDH1A1
SCHEMBL29793691 0.80 MAPT (0.46) ALOX5GAAMAPTMAPK1ALDH1A1
SCHEMBL15490163 0.80 MAPT (0.46) ALOX5GAAMAPTMAPK1ALDH1A1
SCHEMBL3883820 0.80 ALDH1A1 (0.56) ALOX5GAAMAPTMAPK1ALDH1A1
SCHEMBL30989218 0.80 ALDH1A1 (0.56) ALOX5GAAMAPTMAPK1ALDH1A1
SCHEMBL17774817 0.80 HTR2A (0.46) ALOX5GAAMAPTMAPK1ALDH1A1
SCHEMBL17774808 0.80 ALDH1A1 (0.42) ALOX5GAAMAPTMAPK1ALDH1A1
SCHEMBL17774796 0.80 ALOX5 (0.50) ALOX5GAAMAPTMAPK1ALDH1A1
SCHEMBL17774828 0.80 MEN1 (0.51) ALOX5MAPK1ALDH1A1SMN1; SMN2TP53

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 6 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-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
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO 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 (2 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 ALOX5 195/4885GAA 872/4885MAPT 2197/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I ALOX5 2138/4885GAA 3193/4885MAPT 3703/4885

“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.