SCHEMBL5734036

SCHEMBL5734036

CC(=O)N(C)c1ccc(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.50
RAB9A P51151 7/20 0.45
NPC1 O15118 5/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 2/20 0.35
HCAR3 P49019 1/20 0.35
MEN1 O00255 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EGFR P00533 1/20 0.34
PLAU P00749 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL2099047 0.85 GBA1 (0.50) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL31217230 0.84 GBA1 (0.42) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL9254369 0.84 GBA1 (0.49) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL31217284 0.81 GBA1 (0.46) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL17427745 0.81 GBA1 (0.46) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL5734377 0.81 GBA1 (0.46) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL31207409 0.80 GBA1 (0.45) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL8278725 0.79 RAB9A (0.43) RAB9ANPC1ALDH1A1KMT2AMAPT
SCHEMBL568378 0.79 ALDH1A1 (0.39) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL2792080 0.78 CA12 (0.36) ALDH1A1SMN1; SMN2KDM4EHCAR3ADRA2A

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-20240368104-A1 Novel Dialkoxynaphtho[2,3-C]Furan-1(3H)-One Derivatives and Pharmaceutical Composition For Preventing or Treating Respiratory Disease or SARS-COV-2 Infection Disease, Comprising Same DONG WHA PHARM. CO., LTD. (KR) 2024-11-07 US disclosed
WO-2020108579-A1 AMINO-SUBSTITUTED PYRIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-06-04 WO disclosed
EP-1070713-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2006-10-18 EP disclosed
US-6335447-B1 BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 2002-01-01 US disclosed
EP-1070713-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-01-24 EP 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 (1 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-20240368104-A1 Novel Dialkoxynaphtho[2,3-C]Furan-1(3H)-One Derivatives and Pharmaceutical Composition For Preventing or Treating Respiratory Disease or SARS-COV-2 Infection Disease, Comprising Same IL5, ACE2, IL15 GBA1 3402/4885RAB9A 1710/4885NPC1 656/4885

“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.