SCHEMBL6555095

SCHEMBL6555095

N#CCCN(CC#N)c1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ALDH1A1 P00352 4/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.30
HTT P42858 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
SCHEMBL6554137 0.90 TSHR (0.40) TSHRALDH1A1USP2HSD17B10HPGD
SCHEMBL6555127 0.82 ALDH1A1 (0.38) TSHRALDH1A1USP2HSD17B10HPGD
SCHEMBL11329200 0.81 CRHR1 (0.39) TSHRALDH1A1USP2HSD17B10HPGD
SCHEMBL6555085 0.80 ALDH1A1 (0.38) TSHRALDH1A1USP2HSD17B10HPGD
SCHEMBL6555894 0.79 ALDH1A1 (0.37) TSHRALDH1A1USP2HSD17B10HPGD
SCHEMBL6553722 0.78 CRHR1 (0.41) TSHRALDH1A1HPGDMAPK1HTT
SCHEMBL6555348 0.77 POLB (0.48) TSHRALDH1A1USP2HSD17B10POLB
SCHEMBL6554158 0.74 TSHR (0.46) TSHRALDH1A1USP2POLB
SCHEMBL2037646 0.73 ALDH1A1 (0.43) TSHRALDH1A1USP2HSD17B10HPGD
SCHEMBL6555092 0.73 ALDH1A1 (0.37) TSHRALDH1A1USP2HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1234007-B1 OLIGOMERIC METHINE DYES CLARIANT FINANCE BVI LTD (VG) 2004-02-18 EP disclosed
EP-1234007-A1 OLIGOMERIC METHINE DYES Clariant Finance (BVI) Limited (VG) 2002-08-28 EP disclosed
US-20010012899-A1 Oligomeric methine dyes CLARIANT FINANCE ( BVI) LIMITED 2001-08-09 US disclosed
WO-2001036543-A1 OLIGOMERIC METHINE DYES CLARIANT FINANCE (BVI) LIMITED (VG) 2001-05-25 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 (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-20010012899-A1 Oligomeric methine dyes INMT, DDT, DDC TSHR 3212/4885ALDH1A1 604/4885USP2 3142/4885

“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.