SCHEMBL4533729

SCHEMBL4533729

NC(=S)NCCc1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.70
KDM4E B2RXH2 2/20 0.56
F13A1 P00488 1/20 0.56
KMT2A Q03164 2/20 0.56
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
GAA P10253 3/20 0.49
CYP2C19 P33261 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR3A P46098 1/20 0.48
BACE1 P56817 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL21357659 0.82 IDO1 (0.68) IDO1KDM4EKMT2AGAATAAR1
SCHEMBL3912629 0.82 IDO1 (0.68) IDO1KMT2AGAATAAR1ALDH1A1
SCHEMBL3915490 0.82 IDO1 (1.00) IDO1KMT2AGAACYP2C19TAAR1
SCHEMBL3920092 0.82 IDO1 (0.68) IDO1KMT2AGAATAAR1ALDH1A1
SCHEMBL525787 0.82 NPC1 (0.70) IDO1KMT2AGAACYP2C19TAAR1
SCHEMBL6214594 0.81 GAA (0.71) IDO1KDM4EF13A1KMT2ATMEM97
SCHEMBL1286912 0.80 KDM4E (0.56) IDO1KDM4EF13A1KMT2ATMEM97
SCHEMBL525331 0.78 IDO1 (0.62) IDO1KDM4EKMT2AGAATAAR1
SCHEMBL18974156 0.78 IDO1 (0.62) IDO1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2739120 0.77 KDM4E (0.49) IDO1KDM4EF13A1KMT2ATMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814366-B2 Antiviral compounds and use thereof UNIVERSITA DEGLI STUDI DI SIENA (IT) 2023-11-14 US disclosed
EP-3765454-B1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIV DEGLI STUDI DI SIENA (IT) 2023-11-08 EP disclosed
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITA DEGLE STUDI DI SIENA (IT) 2021-03-11 US disclosed
EP-3765454-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF Universita' Degli Studi di Siena (IT) 2021-01-20 EP disclosed
WO-2019175436-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2019-09-19 WO disclosed
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
CN-1926121-A Thiazole derivatives and uses thereof APPLIED RESEARCH SYSTEMS (AN) 2007-03-07 CN disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 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 (4 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-11814366-B2 Antiviral compounds and use thereof MAVS, EIF2AK2, SARS1 IDO1 953/4885KDM4E 2361/4885F13A1 3253/4885
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB IDO1 2215/4885KDM4E 4820/4885F13A1 272/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC IDO1 1520/4885KDM4E 4801/4885F13A1 209/4885
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, EIF2AK2, SARS1 IDO1 953/4885KDM4E 2361/4885F13A1 3253/4885

“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.