SCHEMBL4596700

SCHEMBL4596700

O=c1cc(NCc2ccccc2)c2cc(Br)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.56
CYP2C9 P11712 1/20 0.56
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 1/20 0.45
AR P10275 1/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EGFR P00533 1/20 0.44
IGF1R P08069 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL17758371 0.86 BRD4 (0.60) BRD4CYP2C9KMT2ACNR1CNR2
SCHEMBL17758378 0.85 BRD4 (0.52) BRD4CYP2C9KDM4ECNR1CNR2
SCHEMBL31744872 0.79 LMNA (0.48) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL4596378 0.77 CNR1 (0.60) BRD4CYP2C9CNR1CNR2AR
SCHEMBL17748336 0.75 BRD4 (0.46) BRD4CYP2C9KDM4EARHPGD
SCHEMBL17758380 0.74 BRD4 (0.66) BRD4CYP2C9MEN1KMT2ACNR1
SCHEMBL17467749 0.74 BRD4 (0.49) BRD4CYP2C9KDM4ECNR1CNR2
SCHEMBL16140971 0.73 BRD4 (0.51) BRD4CYP2C9KDM4ECNR1CNR2
SCHEMBL16140991 0.73 BRD4 (1.00) BRD4CYP2C9KDM4ELMNASMN1; SMN2
SCHEMBL12277483 0.72 RXFP1 (0.67) BRD4MAPTMEN1KMT2AKDM4E

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-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 BRD4 1727/4885CYP2C9 4834/4885MAPT 2954/4885

“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.