SCHEMBL6553704

SCHEMBL6553704

[c]1c(N(Cc2ccccc2)Cc2ccccc2)ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.36
AOC3 Q16853 1/20 0.34
MGLL Q99685 2/20 0.34
KMT2A Q03164 1/20 0.33
CFTR P13569 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CNR2 P34972 1/20 0.33
ACHE P22303 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CA2 P00918 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL2460080 0.78 ACP1 (0.33) TSHRCYP2C19CNR2ACHE
SCHEMBL4720954 0.72 BCHE (0.30) TSHR
SCHEMBL2254293 0.72 ALDH1A1 (0.34) CYP2C19ALDH1A1
SCHEMBL2456814 0.71 ELANE (0.35) CYP2C19ALDH1A1KMT2A
SCHEMBL9637909 0.71 CA1 (0.30) CA2
SCHEMBL4722542 0.70 ELANE (0.37) ALDH1A1
SCHEMBL2456330 0.70 KCNH2 (0.36) CYP2C19ALDH1A1KMT2A
SCHEMBL2460446 0.70 ELANE (0.37) ALDH1A1
SCHEMBL2459368 0.68 KCNH2 (0.38) CYP2C19ALDH1A1KMT2ACNR2
SCHEMBL852825 0.68 CALM1 (0.42) CYP2C19LOXL2

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.