SCHEMBL13574239

SCHEMBL13574239

C=Nc1ccc(N(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
TSHR P16473 6/20 0.58
MAPK1 P28482 6/20 0.58
HSD17B10 Q99714 4/20 0.58
TP53 P04637 3/20 0.58
HIF1A Q16665 1/20 0.58
ALOX15 P16050 4/20 0.58
TDP1 Q9NUW8 5/20 0.54
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
NOS1 P29475 2/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL13241724 0.84 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL3217829 0.78 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL13241723 0.78 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL3217836 0.78 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL1405467 0.78 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL1405466 0.78 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL3217840 0.78 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL3184563 0.78 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL134659 0.77 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL65261 0.76 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1HSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104927053-B Polyimide precursor composition, the method for preparing polyimides formed body and polyimides formed body 富士施乐株式会社 2018-07-13 CN disclosed
WO-2016149432-A1 METHOD OF COLORING HAIR WITH DIRECT DYE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2016-09-22 WO disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 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-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS ALDH1A1 1890/4885TSHR 2713/4885MAPK1 29/4885

“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.