SCHEMBL6020194

SCHEMBL6020194

N#CCCCCN(CCCCC#N)c1ccc(N(c2ccc(N(CCCCC#N)CCCCC#N)cc2)c2ccc(N(c3ccc(N(CCCCC#N)CCCCC#N)cc3)c3ccc(N(CCCCC#N)CCCCC#N)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.37
TSHR P16473 2/20 0.34
SLC16A3 O15427 2/20 0.34
SLC16A1 P53985 2/20 0.34
GRIA2 P42262 1/20 0.34
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CRHR1 P34998 1/20 0.32
HTT P42858 1/20 0.30
HIF1A Q16665 2/20 0.30
EPAS1 Q99814 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CNR2 P34972 1/20 0.30

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 0.94 TSHR (0.36) MLYCDTSHRSLC16A3SLC16A1GRIA2
SCHEMBL2005077 0.94 TSHR (0.36) MLYCDTSHRSLC16A3SLC16A1GRIA2
SCHEMBL20207409 0.90 TSHR (0.36) TSHRSLC16A3SLC16A1GRIA2USP2
SCHEMBL7602428 0.85 TSHR (0.40) TSHRUSP2HSD17B10CRHR1HTT
SCHEMBL20207415 0.85 TSHR (0.40) TSHRUSP2HSD17B10CRHR1HTT
SCHEMBL14947359 0.78 CYP2C19 (0.40) TSHRGRIA2HSD17B10ALDH1A1
SCHEMBL4447508 0.74 EGFR (0.42) TSHRALDH1A1CNR2
SCHEMBL4222294 0.74 EGFR (0.42) TSHRALDH1A1CNR2
SCHEMBL12237636 0.73 TSHR (0.33) TSHRUSP2HSD17B10CRHR1HTT
SCHEMBL12304298 0.72 CNR2 (0.44) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1683784-A1 DIIMONIUM SALT COMPOUND AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-07-26 EP 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 (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-20050148786-A1 Diimmonium compound and use thereof INO80, ARID2, TAS2R9 MLYCD 3703/4885TSHR 584/4885SLC16A3 3158/4885

“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.