SCHEMBL4397477

SCHEMBL4397477

c1ccc2c(Nc3cc(Nc4cccc5ccccc45)cc(Nc4cccc5ccccc45)c3)cccc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.76
ALDH1A1 P00352 3/20 0.76
CDC25B P30305 2/20 0.76
TSHR P16473 2/20 0.76
TP53 P04637 1/20 0.76
CYP3A4 P08684 1/20 0.76
HPGD P15428 1/20 0.76
ALOX15 P16050 1/20 0.76
ATM Q13315 1/20 0.76
FADS1 O60427 1/20 0.67
RAB9A P51151 1/20 0.59
KDM4E B2RXH2 4/20 0.58
GAA P10253 3/20 0.58
MAPT P10636 3/20 0.58
RECQL P46063 2/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.51

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
SCHEMBL10338322 0.93 CDC25B (0.80) HSD17B10ALDH1A1CDC25BTSHRTP53
SCHEMBL21234531 0.89 CDC25B (0.67) HSD17B10ALDH1A1CDC25BTSHRTP53
SCHEMBL651572 0.88 HSD17B10 (0.87) HSD17B10ALDH1A1CDC25BTSHRTP53
SCHEMBL29619354 0.88 HSD17B10 (0.87) HSD17B10ALDH1A1CDC25BTSHRTP53
SCHEMBL19796 0.86 ALDH1A1 (1.00) HSD17B10ALDH1A1CDC25BTSHRTP53
SCHEMBL29350230 0.86 ALDH1A1 (1.00) HSD17B10ALDH1A1CDC25BTSHRTP53
SCHEMBL20717964 0.86 ALDH1A1 (0.63) HSD17B10ALDH1A1CDC25BTSHRTP53
SCHEMBL9486043 0.86 ALDH1A1 (0.81) HSD17B10ALDH1A1CDC25BTSHRTP53
SCHEMBL11587472 0.86 CDC25B (0.63) HSD17B10ALDH1A1CDC25BTSHRTP53
SCHEMBL21234619 0.86 CDC25B (0.58) HSD17B10ALDH1A1CDC25BTSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696709-B1 ORGANO-ELECTRONIC FUNCTIONAL MATERIAL AND USE THEREOF NIPPON STEEL CHEMICAL CO (JP) 2012-10-24 EP disclosed
US-7629059-B2 Organo-electronic functional material and use thereof BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2009-12-08 US disclosed
US-7271291-B2 1,3,5-tris (arylamino) benzenes BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-18 US disclosed
US-7271291-B2 1,3,5-tris (arylamino) benzenes BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-18 US disclosed
US-7271291-B2 1,3,5-tris (arylamino) benzenes BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-18 US disclosed
US-20070066848-A1 Organo-electronic functional material and use thereof BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-22 US disclosed
EP-1696709-A1 ORGANO-ELECTRONIC FUNCTIONAL MATERIAL AND USE THEREOF Bando Chemical Industries, Ltd. (JP) 2006-08-30 EP disclosed
US-20060173216-A1 Novel 1, 3, 5 tris (arylamino) benzenes BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-03 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 (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-20070066848-A1 Organo-electronic functional material and use thereof SLCO2A1, SLCO2B1, KCNN2 HSD17B10 2971/4885ALDH1A1 1256/4885CDC25B 399/4885
US-20060173216-A1 Novel 1, 3, 5 tris (arylamino) benzenes HSPA4L, HSPA1A, GAPVD1 HSD17B10 3796/4885ALDH1A1 1122/4885CDC25B 579/4885

“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.