SCHEMBL19781255

SCHEMBL19781255

CC(C)Oc1ccc(Nc2cc(Br)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 2/20 0.46
MAPT P10636 6/20 0.45
TDP1 Q9NUW8 5/20 0.45
MAPK1 P28482 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HTT P42858 3/20 0.44
IDO1 P14902 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
P2RX3 P56373 1/20 0.42
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
PTGDR Q13258 1/20 0.39
CASP7 P55210 1/20 0.39
PKM P14618 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
SCHEMBL15213069 0.90 MAPT (0.54) ALDH3A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL14247245 0.85 MAPT (0.61) ALDH3A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL10171005 0.83 IDO1 (0.58) MAPTTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL14247759 0.81 MAPK1 (0.53) MAPTTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL19781503 0.81 MAPT (0.50) ALDH3A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL9995200 0.80 AKR1C3 (0.58) ALDH3A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL22191379 0.79 MAPT (0.46) ALDH3A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL31144749 0.78 ALDH1A1 (0.54) ALDH3A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL28334343 0.78 MEN1 (0.63) MAPTTDP1MAPK1L3MBTL1ALDH1A1
SCHEMBL31144798 0.78 L3MBTL1 (0.52) MAPTTDP1MAPK1L3MBTL1ALDH1A1

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 ALDH3A1 458/4885MAPT 4605/4885TDP1 3293/4885
US-11352328-B2 Heterocyclic compounds for the treatment of arenavirus C9, C1R, C1S ALDH3A1 447/4885MAPT 4633/4885TDP1 2996/4885
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus C9, C1R, C1S ALDH3A1 447/4885MAPT 4633/4885TDP1 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.