SCHEMBL2005077

SCHEMBL2005077

N#CCCCN(CCCC#N)c1ccc(N(c2ccc(N(CCCC#N)CCCC#N)cc2)c2ccc(N(c3ccc(N(CCCC#N)CCCC#N)cc3)c3ccc(N(CCCC#N)CCCC#N)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
GRIA2 P42262 1/20 0.35
KCNA3 P22001 1/20 0.33
KCNN4 O15554 1/20 0.33
KCNA5 P22460 1/20 0.33
SLC16A3 O15427 2/20 0.33
SLC16A1 P53985 2/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CRHR1 P34998 1/20 0.32
MLYCD O95822 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL3117019 1.00 TSHR (0.36) TSHRGRIA2KCNA3KCNN4KCNA5
SCHEMBL20207409 0.96 TSHR (0.36) TSHRGRIA2KCNA3KCNN4KCNA5
SCHEMBL6020194 0.94 MLYCD (0.37) TSHRGRIA2SLC16A3SLC16A1USP2
SCHEMBL7602428 0.87 TSHR (0.40) TSHRUSP2HSD17B10CRHR1ALDH1A1
SCHEMBL20207415 0.87 TSHR (0.40) TSHRUSP2HSD17B10CRHR1ALDH1A1
SCHEMBL14947359 0.84 CYP2C19 (0.40) TSHRGRIA2HSD17B10ALDH1A1
SCHEMBL151638 0.77 TSHR (0.47) TSHRKCNA3KCNN4KCNA5USP2
SCHEMBL6206075 0.77 KDM4E (0.36) HSD17B10ALDH1A1HPGD
SCHEMBL13900261 0.77 KCNN4 (0.32) KCNN4KCNA5
SCHEMBL21173008 0.75 MAPT (0.35) TSHRGRIA2SLC16A3SLC16A1CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964754-B2 Diimmonium salt and near infrared ray absorption film containing the same SK CHEMICALS CO., LTD. (KR) 2011-06-21 US claimed
US-20100179348-A1 DIIMMONIUM SALT AND NEAR INFRARED RAY ABSORPTION FILM CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2010-07-15 US claimed
WO-2008030039-A1 DIIMMONIUM SALT AND NEAR INFRARED RAY ABSORPTION FILM CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2008-03-13 WO claimed
EP-3530478-A1 SHEET FOR THERMAL TRANSFER RECORDING Canon Kabushiki Kaisha (JP) 2019-08-28 EP disclosed
US-20190217648-A1 THERMAL TRANSFER RECORDING SHEET CANON KABUSHIKI KAISHA (JP) 2019-07-18 US disclosed
US-10195886-B2 Thermal transfer recording sheet set and image forming method CANON KABUSHIKI KAISHA (JP) 2019-02-05 US disclosed
US-20180147875-A1 THERMAL TRANSFER RECORDING SHEET SET AND IMAGE FORMING METHOD CANON KABUSHIKI KAISHA (JP) 2018-05-31 US disclosed
US-7964754-B2 Diimmonium salt and near infrared ray absorption film containing the same SK CHEMICALS CO., LTD. (KR) 2011-06-21 US disclosed
US-20100179348-A1 DIIMMONIUM SALT AND NEAR INFRARED RAY ABSORPTION FILM CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2010-07-15 US disclosed
US-7501171-B2 Optical information recording medium TAIYO YUDEN CO., LTD. (JP) 2009-03-10 US disclosed
WO-2008030039-A1 DIIMMONIUM SALT AND NEAR INFRARED RAY ABSORPTION FILM CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2008-03-13 WO disclosed
EP-1683784-A1 DIIMONIUM SALT COMPOUND AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-07-26 EP disclosed
US-20060091365-A1 Near-infrared absorbing compound and near-infrared absorbing filter using same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2006-05-04 US disclosed
US-20050148786-A1 Diimmonium compound and use thereof NIPPON KAYAKU KABUSHIKI KAISHA 2005-07-07 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 (3 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-20100179348-A1 DIIMMONIUM SALT AND NEAR INFRARED RAY ABSORPTION FILM CONTAINING THE SAME SLC9B2, SLC9A3, SLC9A1 TSHR 653/4885GRIA2 3196/4885KCNA3 162/4885
US-20060091365-A1 Near-infrared absorbing compound and near-infrared absorbing filter using same MSRB3, MSR1, CBR1 TSHR 126/4885GRIA2 1224/4885KCNA3 1068/4885
US-20050148786-A1 Diimmonium compound and use thereof INO80, ARID2, TAS2R9 TSHR 584/4885GRIA2 1200/4885KCNA3 1011/4885

“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.