SCHEMBL3933622

SCHEMBL3933622

CN(C)C=Cc1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.40
ERN1 O75460 1/20 0.40
MAPT P10636 6/20 0.39
ALDH1A1 P00352 4/20 0.39
PTGS2 P35354 1/20 0.38
S100A4 P26447 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
RAB9A P51151 3/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MMP14 P50281 1/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3933619 1.00 BACE1 (0.40) BACE1ERN1MAPTALDH1A1PTGS2
SCHEMBL1096483 0.88 PTGS2 (0.47) BACE1ERN1MAPTALDH1A1PTGS2
SCHEMBL406829 0.88 PTGS2 (0.47) BACE1ERN1MAPTALDH1A1PTGS2
SCHEMBL29996459 0.88 PTGS2 (0.47) BACE1ERN1MAPTALDH1A1PTGS2
SCHEMBL12367389 0.83 TSHR (0.53) BACE1MAPTALDH1A1PTGS2RAB9A
SCHEMBL11834613 0.81 BACE1 (0.50) BACE1MAPTALDH1A1RAB9APOLB
SCHEMBL11834600 0.81 BACE1 (0.50) BACE1MAPTALDH1A1RAB9APOLB
SCHEMBL11837128 0.81 ATM (0.50) BACE1MAPTALDH1A1PTGS2RAB9A
SCHEMBL11837114 0.81 ATM (0.50) BACE1MAPTALDH1A1PTGS2RAB9A
SCHEMBL11839016 0.79 BACE1 (0.54) BACE1MAPTALDH1A1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017184549-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2017-10-26 WO disclosed
US-20170298060-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2017-10-19 US disclosed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN disclosed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
WO-2007019397-A2 6-MEMBERED ARYL AND HETEROARYL DERIVATIVES FOR THE TREATMENT OF HEPATITIS C VIRUS GENELABS TECHNOLOGIES, INC. (US) 2007-02-15 WO disclosed
US-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses GENELABS TECHNOLOGIES, INC. 2007-02-08 US disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 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 (4 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-20170298060-A1 PYRROLOPYRIDINE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARB, RARA, RARG BACE1 4660/4885ERN1 3976/4885MAPT 4078/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 BACE1 2283/4885ERN1 653/4885MAPT 2534/4885
US-20070032488-A1 6-Membered aryl and heteroaryl derivatives for treating viruses HAVCR2, MAVS, EIF2AK2 BACE1 2351/4885ERN1 990/4885MAPT 2286/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 BACE1 4381/4885ERN1 132/4885MAPT 4372/4885

“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.