SCHEMBL7064955

SCHEMBL7064955

CN1C(=O)C2=C(c3ccc([Se]c4ccc(Cl)cc4)cc3)N(C)C(=O)C2=C1c1ccc([Se]c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
NOTUM Q6P988 1/20 0.37
GAA P10253 4/20 0.36
LMNA P02545 3/20 0.36
TSPO P30536 1/20 0.36
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 1/20 0.34
CISD1 Q9NZ45 2/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 2/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GSK3B P49841 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 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
SCHEMBL7068310 0.91 PTGS2 (0.51) PTGS2NOTUMGAALMNATSPO
SCHEMBL5892104 0.76 NR1H2 (0.50) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL29644733 0.74 PTGS2 (0.70) PTGS2NOTUMGAALMNATSPO
SCHEMBL6859504 0.73 PTGS2 (0.41) PTGS2NOTUMGAALMNAALDH1A1
SCHEMBL5070001 0.72 NR1H2 (0.52) PTGS2GAALMNAMAPTHTT
SCHEMBL9836026 0.72 PTGS2 (0.50) PTGS2LMNAALDH1A1KDM4EMEN1
SCHEMBL23954383 0.72 ALDH1A1 (0.47) NOTUMGAAALDH1A1KDM4EMEN1
SCHEMBL9834685 0.71 PGR (0.51) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL16456169 0.71 SENP1 (0.45) PTGS2GAAALDH1A1
SCHEMBL12725181 0.71 NR1H2 (0.50) PTGS2ALDH1A1MAPTSMN1; SMN2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187106-A1 Red, organge color; photostability, heat resistance MORETTI ROBERT (CH) 2003-10-02 US disclosed
US-6603020-B1 Exhibiting a red or orange fluorescence CIBA SPECIALTY CHEMICALS CORPORATION 2003-08-05 US disclosed
EP-1087005-A1 Fluorescent diketopyrrolopyrroles Ciba SC Holding AG (CH) 2001-03-28 EP 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-20030187106-A1 Red, organge color; photostability, heat resistance CBR1, CBR3, DPP8 PTGS2 1776/4885NOTUM 4348/4885GAA 4401/4885

“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.