SCHEMBL1719186

SCHEMBL1719186

Cc1cccc(CN2C(=O)C3=C(c4ccc(Br)c5ccccc45)N(Cc4cccc(C)c4)C(=O)C3=C2c2ccc(Br)c3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 10/20 0.50
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CARM1 Q86X55 1/20 0.38

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
SCHEMBL10086970 0.81 KMT2A (0.39) CYP1B1CA12CA1CA9KMT2A
SCHEMBL13250823 0.76 TP53 (0.46) KMT2APOLBALDH1A1MEN1MAPT
SCHEMBL13250824 0.74 TP53 (0.45) KMT2AMAPTHPGD
SCHEMBL6153208 0.73 RGS4 (0.47) CA12CA1CA9KMT2APOLB
SCHEMBL10922984 0.72 KMT2A (0.60) CA12CA1CA9KMT2APOLB
SCHEMBL20437111 0.72 KMT2A (0.51) CA12CA1CA9KMT2APOLB
SCHEMBL29819860 0.72 KMT2A (0.60) CA12CA1CA9KMT2APOLB
SCHEMBL2457896 0.72 GSK3B (0.47) CA12CA9POLBALDH1A1MAPT
SCHEMBL12431374 0.71 NPSR1 (0.53) CYP1B1CA12CA1CA9KMT2A
SCHEMBL2457775 0.71 NPSR1 (0.56) CYP1B1KMT2APOLBALDH1A1MEN1

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-1399514-B1 FLUORESCENT DIKETOPYRROLOPYRROLES BASF SE (DE) 2012-01-11 EP disclosed
US-7063806-B2 Fluorescent diketopyrrolopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-06-20 US disclosed
US-20040180235-A1 Fluorescent diketopyrrolopyrroles CIBA SPECIALTY CHEMICALS CORP. 2004-09-16 US disclosed
EP-1399514-A2 FLUORESCENT DIKETOPYRROLOPYRROLES Ciba SC Holding AG (CH) 2004-03-24 EP disclosed
WO-2003002672-A2 FLUORESCENT DIKETOPYRROLOPYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-01-09 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-20040180235-A1 Fluorescent diketopyrrolopyrroles TYR, QDPR, PDK1 CYP1B1 530/4885CA12 4550/4885CA1 4844/4885

“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.