SCHEMBL6554158

SCHEMBL6554158

N#CCN(Cc1ccccc1)c1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 2/20 0.39
MAOB P27338 2/20 0.39
CNR2 P34972 1/20 0.39
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
LMNA P02545 4/20 0.36
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PDE6A P16499 1/20 0.36
ADRA2C P18825 1/20 0.36
MC4R P32245 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL22361099 0.93 TSHR (0.46) TSHRCYP2C19ALDH1A1POLBMAOB
SCHEMBL27629822 0.89 TSHR (0.57) TSHRCYP2C19ALDH1A1POLBMAOB
SCHEMBL2103973 0.85 CYP2C19 (0.59) TSHRCYP2C19ALDH1A1CNR2NR1H2
SCHEMBL6555348 0.85 POLB (0.48) TSHRCYP2C19ALDH1A1POLBCNR2
SCHEMBL6575377 0.81 CYP2C19 (0.47) TSHRCYP2C19ALDH1A1POLBMAOB
SCHEMBL8015978 0.79 TSHR (0.75) TSHRCYP2C19ALDH1A1CNR2NR1H2
SCHEMBL28357225 0.79 TSHR (0.48) TSHRCYP2C19ALDH1A1CNR2NR1H2
SCHEMBL6554156 0.77 ALDH1A1 (0.42) TSHRCYP2C19ALDH1A1POLBMAOB
SCHEMBL10932148 0.75 TSHR (0.53) TSHRCYP2C19ALDH1A1POLBLMNA
SCHEMBL9335759 0.75 MAOB (0.41) TSHRCYP2C19ALDH1A1MAOBCYP1A2

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 TSHR 3212/4885CYP2C19 1954/4885ALDH1A1 604/4885

“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.