SCHEMBL19781126

SCHEMBL19781126

COc1ccc(Nc2cccc(Br)c2[N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
GAA P10253 4/20 0.50
HTT P42858 3/20 0.50
RAB9A P51151 5/20 0.49
PKM P14618 1/20 0.49
ALOX12 P18054 1/20 0.49
HSD17B10 Q99714 1/20 0.49
IDO1 P14902 1/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
ALDH3A1 P30838 1/20 0.46
KDM4E B2RXH2 2/20 0.46
THRB P10828 2/20 0.46
RECQL P46063 2/20 0.46

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
SCHEMBL2780935 0.83 MAPT (0.51) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL30310056 0.83 GAA (0.53) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL16174819 0.83 GAA (0.53) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL16352522 0.82 TDP1 (0.57) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL16174781 0.81 MAPT (0.52) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL1272077 0.80 MAPT (0.48) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL30310075 0.77 MAPK1 (0.68) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL3913669 0.77 MAPK1 (0.68) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL16174820 0.75 MAPT (0.54) MAPTMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL7881974 0.74 ALDH1A1 (0.44) MAPTMAPK1ALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281825-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2022-09-08 US disclosed
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus ARISAN THERAPEUTICS INC. (US) 2022-06-07 US disclosed
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus ARISAN THERAPEUTICS INC. (US) 2022-06-07 US disclosed
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-10 US disclosed
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-10 US disclosed
WO-2018013430-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2018-01-18 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-20220281825-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION C9, C1S, ZC3HAV1 MAPT 4605/4885MAPK1 4480/4885ALDH1A1 1131/4885
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus C9, C1R, C1S MAPT 4633/4885MAPK1 4593/4885ALDH1A1 1146/4885
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus C9, C1R, C1S MAPT 4633/4885MAPK1 4593/4885ALDH1A1 1146/4885

“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.