Sugi Predict

Sugi Predict / Compounds / SCHEMBL2095645

SCHEMBL2095645

SCHEMBL2095645

CN(C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPT P10636 4/20 0.42
▸ LMNA P02545 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12550520 0.84 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPTLMNARECQL
SCHEMBL969001 0.82 SMN1; SMN2 (0.52) ALDH1A1L3MBTL1MAPTLMNARECQL
SCHEMBL2095642 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTLMNARECQL
SCHEMBL11788282 0.81 HDAC1 (0.44) ALDH1A1MAPTRAB9AKDM4EHPGD
SCHEMBL5914613 0.80 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTLMNARECQL
SCHEMBL3997515 0.80 ALOX5 (0.47) ALDH1A1L3MBTL1MAPTLMNARECQL
SCHEMBL2089214 0.79 ALDH1A1 (0.52) ALDH1A1MAPTLMNARAB9ACES2
SCHEMBL7942259 0.79 APP (0.43) ALDH1A1L3MBTL1MAPTLMNARECQL
Bromomethane SCHEMBL11185005 0.79 KMT2A (0.50) ALDH1A1L3MBTL1LMNARAB9AKDM4E
SCHEMBL24669260 0.78 KDM4E (0.50) ALDH1A1L3MBTL1MAPTLMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374006-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS LIMITED (CN) 2023-11-23 — — US disclosed
US-20230047178-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS INC. (CN) 2023-02-16 — — US disclosed
US-20210253569-A1 HETEROARYL COMPOUNDS AND USES THEREOF APRINOIA THERAPEUTICS INC. (CN) 2021-08-19 — — US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 — — US disclosed
CN-101501008-B Arylpiperazine derivatives and uses thereof F. HOFFMANN-LA ROCHE AG (CH) 2011-12-07 — — CN disclosed
CN-101501008-A Arylpiperazine derivatives and uses thereof HOFFMANN LA ROCHE (CH) 2009-08-05 — — CN disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 — — EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 — — US disclosed
EP-1429607-B1 DELTA 1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-04-04 — — EP disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 — — EP disclosed
US-7074785-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2006-07-11 — — US disclosed
US-20060142369-A1 Delta 1-pyrrolines used as pesticides SEITZ THOMAS 2006-06-29 — — US disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — WO disclosed
US-20050014650-A1 Delta 1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2005-01-20 — — US disclosed
EP-1429607-A1 DELTA 1-PYRROLINES USED AS PESTICIDES Bayer CropScience AG (DE) 2004-06-23 — — EP disclosed
WO-2003024220-A1 DELTA 1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-03-27 — — 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 (6 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-20230374006-A1 HETEROARYL COMPOUNDS AND USES THEREOF MAPT, APP, SLCO1B3 ALDH1A1 1918/4885L3MBTL1 3871/4885MAPT 1/4885
US-20060142369-A1 Delta 1-pyrrolines used as pesticides DDT, CHRM1, OPRD1 ALDH1A1 385/4885L3MBTL1 1158/4885MAPT 2976/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH1A1 412/4885L3MBTL1 2575/4885MAPT 4299/4885
US-20210253569-A1 HETEROARYL COMPOUNDS AND USES THEREOF MAPT, APP, SLCO1B3 ALDH1A1 1918/4885L3MBTL1 3871/4885MAPT 1/4885
US-20230047178-A1 HETEROARYL COMPOUNDS AND USES THEREOF MAPT, APP, SLCO1B3 ALDH1A1 1918/4885L3MBTL1 3871/4885MAPT 1/4885
US-20050014650-A1 Delta 1-pyrrolines used as pesticides CHRM1, DDT, CHRND ALDH1A1 435/4885L3MBTL1 846/4885MAPT 3500/4885

“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.