SCHEMBL1719328

SCHEMBL1719328

O=c1nc(-c2ccc(Br)c3ccccc23)c2c(=O)nc(-c3ccc(Br)c4ccccc34)c1=2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 10/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.35
C1R P00736 1/20 0.35
KMT2A Q03164 1/20 0.35
DNMT1 P26358 1/20 0.34
PARP1 P09874 1/20 0.34
HTR6 P50406 1/20 0.34
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL10481215 0.79 MAPK1 (0.41) C1RKMT2A
SCHEMBL6480259 0.77 POLB (0.47) CYP1A2KMT2ADNMT1
SCHEMBL6479992 0.73 PAX8 (0.52) CYP1A2KMT2ADNMT1
SCHEMBL13632075 0.72 CYP1A2 (0.47) CYP1A2CYP1B1HTTRXFP1KMT2A
SCHEMBL623432 0.72 CYP1A2 (0.47) CYP1A2CYP1B1HTTRXFP1KMT2A
SCHEMBL13631896 0.72 CYP1A2 (0.47) CYP1A2CYP1B1HTTRXFP1KMT2A
SCHEMBL30052553 0.72 CYP1A2 (0.47) CYP1A2CYP1B1HTTRXFP1KMT2A
SCHEMBL13631978 0.72 CYP1A2 (0.47) CYP1A2CYP1B1HTTRXFP1KMT2A
SCHEMBL1720312 0.72 PAX8 (0.45) CYP1A2CYP1B1KMT2A
SCHEMBL29429114 0.69 RXFP1 (0.48) CYP1A2HTTRXFP1KMT2APARP1

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-7749404-B2 Fluorescent diketopyrrolopyrroles CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-06 US disclosed
US-20060186376-A1 Fluorescent diketopyrrolopyrroles YAMAMOTO HIROSHI 2006-08-24 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060186376-A1 Fluorescent diketopyrrolopyrroles DCLK1, CDKL1, TYR CYP1A2 861/4885CYP1B1 606/4885HTT 2828/4885
US-20040180235-A1 Fluorescent diketopyrrolopyrroles TYR, QDPR, PDK1 CYP1A2 1319/4885CYP1B1 530/4885HTT 2515/4885

“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.