SCHEMBL19781538

SCHEMBL19781538

CC(C)Oc1ccc(-c2coc3ccc(Br)cc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 2/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
NPC1 O15118 3/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
MAPK1 P28482 1/20 0.48
STAT1 P42224 1/20 0.48
CASP3 P42574 1/20 0.48
HIF1A Q16665 1/20 0.48
SENP8 Q96LD8 1/20 0.48

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
SCHEMBL19781137 0.87 ALDH2 (0.52) ALDH2MAOAMAOBNPC1MEN1
SCHEMBL1143870 0.84 GSK3B (0.61) MAOAMAOBNPC1MEN1MAPT
SCHEMBL1143680 0.81 ALDH2 (0.49) ALDH2MAOAMAOBNPC1MEN1
SCHEMBL11428068 0.76 NPC1 (0.52) NPC1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12292945 0.75 MEN1 (0.43) MEN1MAPTKMT2ASMN1; SMN2POLB
SCHEMBL19781149 0.75 ALDH2 (0.42) ALDH2MAOAMAOBNPC1MEN1
SCHEMBL10762254 0.73 MAOB (0.47) MAOBMEN1KMT2APOLBGSK3B
SCHEMBL1619738 0.71 ALDH1A3 (0.47) MAPTKMT2APOLBALDH1A1GAA
SCHEMBL24489766 0.70 GSK3B (0.41) MEN1KMT2APOLBGSK3B
SCHEMBL8481488 0.70 PIN1 (0.73) MAOAMAOBNPC1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-11352328-B2 Heterocyclic compounds for the treatment of arenavirus C9, C1R, C1S ALDH2 2083/4885MAOA 957/4885MAOB 762/4885
US-20190308938-A1 Heterocyclic Compounds for the Treatment of Arenavirus C9, C1R, C1S ALDH2 2083/4885MAOA 957/4885MAOB 762/4885

“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.