SCHEMBL6555348

SCHEMBL6555348

N#CCCN(Cc1ccccc1)c1cc[c]cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
TSHR P16473 3/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CYP2C19 P33261 1/20 0.43
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2D6 P10635 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PDE6A P16499 1/20 0.39
ADRA2C P18825 1/20 0.39
MC4R P32245 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL10932148 0.91 TSHR (0.53) POLBTSHRGAAALDH1A1CYP2C19
SCHEMBL6554158 0.85 TSHR (0.46) POLBTSHRGAAALDH1A1CYP2C19
SCHEMBL24405300 0.84 POLB (0.46) POLBTSHRGAAALDH1A1CYP2C19
SCHEMBL2103973 0.84 CYP2C19 (0.59) TSHRALDH1A1CYP2C19CYP2D6LMNA
SCHEMBL6554137 0.82 TSHR (0.40) POLBTSHRALDH1A1USP2HSD17B10
SCHEMBL11211652 0.81 TSHR (0.50) POLBTSHRGAAALDH1A1CYP2C19
SCHEMBL11218305 0.81 CYP2C19 (0.57) POLBTSHRGAAALDH1A1CYP2C19
SCHEMBL11581148 0.80 POLB (0.46) POLBTSHRGAAALDH1A1CYP2C19
SCHEMBL7565830 0.80 CHRM2 (0.53) TSHRALDH1A1CYP2C19CYP2D6LMNA
SCHEMBL22361099 0.78 TSHR (0.46) POLBTSHRALDH1A1CYP2C19USP2

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 5 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
US-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 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-20010012899-A1 Oligomeric methine dyes INMT, DDT, DDC POLB 1567/4885TSHR 3212/4885GAA 2678/4885

“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.