SCHEMBL3370037

SCHEMBL3370037

CN(c1cc(N(C)c2ccccc2-c2ccccc2)cc(N(C)c2ccccc2-c2ccccc2)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PGR P06401 1/20 0.38
BACE1 P56817 1/20 0.38
HTR7 P34969 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 1/20 0.37
PSMB5 P28074 2/20 0.37
CRHR1 P34998 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
PTGS2 P35354 1/20 0.34
ESR2 Q92731 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL6724434 0.90 TACR1 (0.38) TACR1MEN1KMT2ASMN1; SMN2PGR
SCHEMBL6723411 0.89 PTPN1 (0.42) TACR1MEN1KMT2ASMN1; SMN2PGR
SCHEMBL6724506 0.89 TACR1 (0.38) TACR1MEN1KMT2ASMN1; SMN2PGR
SCHEMBL27498154 0.88 PTPN1 (0.41) TACR1MEN1KMT2ASMN1; SMN2HTR7
SCHEMBL6723948 0.87 MEN1 (0.45) TACR1MEN1KMT2ASMN1; SMN2BACE1
SCHEMBL6723970 0.86 TAAR1 (0.39) TACR1MEN1KMT2ASMN1; SMN2HTR7
SCHEMBL13826147 0.86 TAAR1 (0.39) TACR1MEN1KMT2ASMN1; SMN2HTR7
SCHEMBL6723582 0.86 CHKA (0.41) TACR1MEN1KMT2ASMN1; SMN2HTR7
SCHEMBL6723824 0.86 TAAR1 (0.39) TACR1MEN1KMT2ASMN1; SMN2HTR7
SCHEMBL6723985 0.86 TAAR1 (0.39) TACR1MEN1KMT2ASMN1; SMN2HTR7

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 12 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
EP-1496044-B1 NOVEL 1,3,5-TRIS(ARYLAMINO)BENZENE BANDO CHEMICAL IND (JP) 2010-11-03 EP disclosed
US-7629059-B2 Organo-electronic functional material and use thereof BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2009-12-08 US disclosed
US-20090066222-A1 Organic electronic functional material and use thereof BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-12 US disclosed
US-7271291-B2 1,3,5-tris (arylamino) benzenes BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-18 US disclosed
EP-1826837-A1 ORGANIC ELECTRONIC FUNCTIONAL MATERIAL AND USE THEREOF Bando Chemical Industries, Ltd. (JP) 2007-08-29 EP disclosed
US-7196224-B2 1,3,5-tris(arylamino)benzenes BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-27 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
US-20050090692-A1 Novel 1,3,5-tris(arylamino)benzene BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2005-04-28 US disclosed
EP-1496044-A1 NOVEL 1,3,5-TRIS(ARYLAMINO)BENZENE Bando Chemical Industries, Ltd. (JP) 2005-01-12 EP 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 (4 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 TACR1 3279/4885MEN1 3240/4885KMT2A 3915/4885
US-20090066222-A1 Organic electronic functional material and use thereof EFNA1, EPB41, ETFB TACR1 3217/4885MEN1 3483/4885KMT2A 2543/4885
US-20060173216-A1 Novel 1, 3, 5 tris (arylamino) benzenes HSPA4L, HSPA1A, GAPVD1 TACR1 4593/4885MEN1 4488/4885KMT2A 942/4885
US-20050090692-A1 Novel 1,3,5-tris(arylamino)benzene AHR, MYB, NAP1L4 TACR1 3544/4885MEN1 4676/4885KMT2A 1475/4885

“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.