SCHEMBL19781503

SCHEMBL19781503

COc1cc([N+](=O)[O-])c(Nc2ccc(OC(C)C)cc2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.50
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
ALDH3A1 P30838 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.45
HTT P42858 2/20 0.44
GAA P10253 2/20 0.44
THRB P10828 1/20 0.42
IDO1 P14902 1/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
P2RX3 P56373 1/20 0.39

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
SCHEMBL22032839 0.83 MAPT (0.47) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL31621042 0.83 ALDH1A1 (0.51) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL15213069 0.81 MAPT (0.54) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL19781255 0.81 ALDH3A1 (0.46) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL22032880 0.79 ACP1 (0.41) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL22072404 0.76 ACP1 (0.39) MAPTMAPK1TDP1L3MBTL1AKR1C3
SCHEMBL10048363 0.76 MAPT (0.54) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL29751370 0.74 MAPT (0.45) MAPTMAPK1TDP1ALDH1A1MEN1
SCHEMBL26654486 0.74 MAPT (0.45) MAPTMAPK1TDP1ALDH1A1MEN1
SCHEMBL29014110 0.73 MERTK (0.53) MAPTMAPK1TDP1L3MBTL1ALDH1A1

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 4480/4885TDP1 3293/4885
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus C9, C1R, C1S MAPT 4633/4885MAPK1 4593/4885TDP1 2996/4885
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus C9, C1R, C1S MAPT 4633/4885MAPK1 4593/4885TDP1 2996/4885

“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.