SCHEMBL2154654

SCHEMBL2154654

CCCCCN(CCCCC)c1cc(N(CCCCC)CCCCC)cc(N(CCCCC)CCCCC)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.42
KCNH2 Q12809 3/20 0.38
AR P10275 1/20 0.38
PTGS2 P35354 3/20 0.38
CYP3A4 P08684 1/20 0.38
PLA2G2A P14555 1/20 0.37
BLM P54132 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
GPR84 Q9NQS5 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
SCHEMBL3214629 0.84 NPC1 (0.42) DNM1KCNH2PLA2G2ABLMRXRA
SCHEMBL1459455 0.84 EGFR (0.44) DNM1CYP3A4
SCHEMBL31108460 0.83 PTGS2 (0.57) PTGS2CYP3A4GPR84
SCHEMBL21519517 0.83 DNM1 (0.38) DNM1KCNH2PTGS2CYP3A4PLA2G2A
SCHEMBL10598696 0.82 PLA2G2A (0.42) PLA2G2ABLMRXRARXRBRXRG
SCHEMBL2399564 0.82 ALDH3A1 (0.40) DNM1KCNH2ARPLA2G2ABLM
SCHEMBL12677177 0.82 CNR2 (0.46) DNM1KCNH2
SCHEMBL1815516 0.82 CNR2 (0.46) DNM1KCNH2
SCHEMBL3438591 0.81 AR (0.38) ARCYP3A4PLA2G2ABLMSLC16A3
SCHEMBL4447508 0.80 EGFR (0.42) DNM1CYP3A4

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8029920-B2 1,3,5-tris(diarylamino)benzenes and use thereof BANDO CHEMICAL INDUSTRIES, LTD (JP) 2011-10-04 US claimed
EP-1995235-B1 NOVEL 1,3,5-TRIS(DIARYLAMINO)BENZENES AND USE THEREOF BANDO CHEMICAL IND (JP) 2011-09-14 EP claimed
US-20110186834-A1 NOVEL 1,3,5-TRIS(DIARYLAMINO)BENZENE AND USE THEREOF BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2011-08-04 US claimed
EP-2341043-A1 NOVEL 1,3,5-TRIS(DIARYLAMINO)BENZENE AND USE THEREOF Bando Chemical Industries, Ltd. (JP) 2011-07-06 EP claimed
US-20090058287-A1 NOVEL 1,3,5-TRIS(DIARYLAMINO)BENZENES AND USE THEREOF BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-05 US claimed
EP-1995235-A1 NOVEL 1,3,5-TRIS(DIARYLAMINO)BENZENES AND USE THEREOF BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2008-11-26 EP claimed
EP-1696709-B1 ORGANO-ELECTRONIC FUNCTIONAL MATERIAL AND USE THEREOF NIPPON STEEL CHEMICAL CO (JP) 2012-10-24 EP disclosed
CN-101395125-B Novel 1,3,5-tris(diarylamino)benzenes and use thereof BANDO CHEMICAL IND 2012-06-13 CN disclosed
CN-101395125-B Novel 1,3,5-tris(diarylamino)benzenes and use thereof BANDO CHEMICAL IND 2012-06-13 CN disclosed
US-8029920-B2 1,3,5-tris(diarylamino)benzenes and use thereof BANDO CHEMICAL INDUSTRIES, LTD (JP) 2011-10-04 US disclosed
US-8029920-B2 1,3,5-tris(diarylamino)benzenes and use thereof BANDO CHEMICAL INDUSTRIES, LTD (JP) 2011-10-04 US disclosed
US-8029920-B2 1,3,5-tris(diarylamino)benzenes and use thereof BANDO CHEMICAL INDUSTRIES, LTD (JP) 2011-10-04 US disclosed
EP-1995235-B1 NOVEL 1,3,5-TRIS(DIARYLAMINO)BENZENES AND USE THEREOF BANDO CHEMICAL IND (JP) 2011-09-14 EP disclosed
CN-101395125-A Novel 1,3,5-tris(diarylamino)benzenes and use thereof BANDO CHEMICAL IND (JP) 2009-03-25 CN disclosed
US-20090058287-A1 NOVEL 1,3,5-TRIS(DIARYLAMINO)BENZENES AND USE THEREOF BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-05 US disclosed
US-20090058287-A1 NOVEL 1,3,5-TRIS(DIARYLAMINO)BENZENES AND USE THEREOF BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-05 US disclosed
EP-1995235-A1 NOVEL 1,3,5-TRIS(DIARYLAMINO)BENZENES AND USE THEREOF BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2008-11-26 EP disclosed
EP-1995235-A1 NOVEL 1,3,5-TRIS(DIARYLAMINO)BENZENES AND USE THEREOF BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2008-11-26 EP disclosed
JP-2007246399-A NOVEL 1,3,5-TRIS(DIARYLAMINO)BENZENES AND THEIR USE BANDO CHEM IND LTD 2007-09-27 JP disclosed
WO-2007105783-A1 NOVEL 1,3,5-TRIS(DIARYLAMINO)BENZENES AND USE THEREOF BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-20 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-20110186834-A1 NOVEL 1,3,5-TRIS(DIARYLAMINO)BENZENE AND USE THEREOF CBR1, CYP1B1, CBR3 DNM1 2877/4885KCNH2 75/4885AR 1531/4885
US-20090058287-A1 NOVEL 1,3,5-TRIS(DIARYLAMINO)BENZENES AND USE THEREOF TMBIM6, TNPO1, CACNA1I DNM1 2044/4885KCNH2 81/4885AR 2736/4885

“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.