SCHEMBL18130511

SCHEMBL18130511

COC(=O)CNC(=O)c1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 2/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40

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
SCHEMBL31161002 0.81 KDM4E (0.50) SMN1; SMN2ALDH1A1POLBHPGDKDM4E
SCHEMBL9268117 0.81 HPGD (0.62) SMN1; SMN2ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL14373412 0.80 HPGD (0.45) SMN1; SMN2ALDH1A1POLBHPGDKDM4E
SCHEMBL7447850 0.79 SLC6A2 (0.48) PKMSMN1; SMN2ALDH1A1ABCB1ABCC1
SCHEMBL1667720 0.79 SIRT6 (0.56) PKMSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL28444583 0.77 APEX1 (0.48) SMN1; SMN2ALDH1A1HPGDKDM4ENPC1
SCHEMBL21296309 0.76 HPGD (0.63) PKMSMN1; SMN2POLBHPGDNPC1
SCHEMBL22278705 0.76 LMNA (0.55) PKMALDH1A1KDM4ENPC1MAPT
SCHEMBL23861174 0.75 PDGFRB (0.56) PKMSMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL22324639 0.75 KDM4E (0.55) PKMSMN1; SMN2ALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 EP disclosed
US-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-10676446-B2 Bicyclic quinazolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-09 US disclosed
US-10676446-B2 Bicyclic quinazolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-09 US disclosed
EP-3280707-A1 BICYCLIC QUINAZOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2018-02-14 EP disclosed
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-02-01 US disclosed
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-02-01 US disclosed
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-02-01 US disclosed
WO-2016162390-A1 BICYCLIC QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-10-13 WO disclosed
WO-2016162390-A1 BICYCLIC QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-10-13 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 (3 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-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 PKM 2764/4885SMN1; SMN2 2930/4885ALDH1A1 975/4885
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 PKM 2764/4885SMN1; SMN2 2930/4885ALDH1A1 975/4885
US-10676446-B2 Bicyclic quinazolinone derivatives BRD4, BICRA, NDUFC2 PKM 2764/4885SMN1; SMN2 2930/4885ALDH1A1 975/4885

“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.