SCHEMBL537387

SCHEMBL537387

COC(=O)c1ccc([N+](=O)[O-])c(C=C(Br)Br)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.52
ERN1 O75460 2/20 0.49
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 1/20 0.46
AR P10275 1/20 0.46
PELP1 Q8IZL8 1/20 0.46
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
PKM P14618 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL18775428 0.84 MAPT (0.45) NPSR1MAPTALDH1A1KMT2AMEN1
SCHEMBL537223 0.84 ERN1 (0.62) VCAM1ERN1NPSR1MAPTAR
Dimethylamine SCHEMBL7140666 0.81 VCAM1 (0.52) VCAM1ERN1NPSR1MAPTAR
SCHEMBL7085042 0.80 VCAM1 (0.51) VCAM1ERN1NPSR1MAPTAR
SCHEMBL7085039 0.80 VCAM1 (0.51) VCAM1ERN1NPSR1MAPTAR
SCHEMBL5734347 0.79 VCAM1 (0.68) VCAM1ERN1NPSR1MAPTHPGD
SCHEMBL4133735 0.78 VCAM1 (0.50) VCAM1ERN1NPSR1MAPTAR
SCHEMBL3970653 0.78 VCAM1 (0.50) VCAM1ERN1NPSR1MAPTAR
SCHEMBL14564249 0.78 BACE1 (0.52) NPSR1MAPTALDH1A1KMT2AMEN1
SCHEMBL31450151 0.78 VCAM1 (0.58) VCAM1ERN1NPSR1MAPTAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP claimed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 WO claimed
US-20170114019-A1 18-20 MEMBER BI-POLYCYCLIC COMPOUNDS HARO PHARMACEUTICAL INC. 2017-04-27 US disclosed
US-8410144-B2 Substituted indolo-pyridinone compounds ARQULE, INC. (US) 2013-04-02 US disclosed
US-8410144-B2 Substituted indolo-pyridinone compounds ARQULE, INC. (US) 2013-04-02 US disclosed
US-8410144-B2 Substituted indolo-pyridinone compounds ARQULE, INC. (US) 2013-04-02 US disclosed
EP-2414344-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP disclosed
WO-2010114896-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
WO-2010114896-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 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-20100249127-A1 SUBSTITUTED INDOLO-PYRIDINONE COMPOUNDS MKI67, CCNI, CDK4 VCAM1 3009/4885ERN1 4100/4885NPSR1 2199/4885
US-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN VCAM1 4868/4885ERN1 4455/4885NPSR1 1306/4885
US-20170114019-A1 18-20 MEMBER BI-POLYCYCLIC COMPOUNDS CKMT1A; CKMT1B, MYLK2, CPT1B VCAM1 4205/4885ERN1 3011/4885NPSR1 4768/4885

“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.