SCHEMBL13612884

SCHEMBL13612884

CCCNCCCOC(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 3/20 0.40
PAOX Q6QHF9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL25565761 0.91 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRL3MBTL1MAPT
SCHEMBL25463224 0.89 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL12245085 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL25565755 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRL3MBTL1MAPT
SCHEMBL9288942 0.86 HTR1B (0.34) ALDH1A1SMN1; SMN2TSHRPAOXL3MBTL1
SCHEMBL3209063 0.84 CYP2C19 (0.48) ALDH1A1SMN1; SMN2TSHRL3MBTL1HTT
SCHEMBL24865990 0.84 HTR1B (0.33) ALDH1A1SMN1; SMN2TSHRPAOXL3MBTL1
SCHEMBL20231578 0.84 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2TSHRL3MBTL1MAPT
SCHEMBL6552923 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRL3MBTL1MAPT
SCHEMBL15511157 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TSHRPAOXKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
EP-2708529-B1 METHOD FOR MANUFACTURING PARTICLES SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-9796831-B2 Process for producing particles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-24 US disclosed
CN-103974929-A Method for producing hydrohalic acid salt of halogenated alkyl amine SUMITOMO CHEMICAL CO 2014-08-06 CN disclosed
EP-2708529-A1 METHOD FOR MANUFACTURING PARTICLES Sumitomo Chemical Company Limited (JP) 2014-03-19 EP disclosed
US-20140065337-A1 PROCESS FOR PRODUCING PARTICLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-03-06 US disclosed
CN-103534236-A Method for producing granules SUMITOMO CHEMICAL CO 2014-01-22 CN disclosed
US-7638523-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-12-29 US disclosed
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 US disclosed
US-7592349-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-09-22 US disclosed
US-7563894-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-07-21 US disclosed
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2009-01-08 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 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 (8 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-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 ALDH1A1 185/4885SMN1; SMN2 504/4885TSHR 3676/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 ALDH1A1 185/4885SMN1; SMN2 504/4885TSHR 3676/4885
US-20090012094-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885SMN1; SMN2 4559/4885TSHR 3111/4885
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885SMN1; SMN2 4559/4885TSHR 3111/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885SMN1; SMN2 4559/4885TSHR 3111/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ALDH1A1 1472/4885SMN1; SMN2 4559/4885TSHR 3111/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885SMN1; SMN2 4559/4885TSHR 3111/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885SMN1; SMN2 4559/4885TSHR 3111/4885

“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.