SCHEMBL7516781

SCHEMBL7516781

CCOC(=O)c1nnsc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
ILK Q13418 1/20 0.51
ALDH1A1 P00352 10/20 0.50
MAPT P10636 6/20 0.50
HPGD P15428 4/20 0.50
GAA P10253 3/20 0.50
CYP1A2 P05177 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.48
FHIT P49789 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7794327 0.81 TSHR (0.61) TSHRILKALDH1A1MAPTHPGD
SCHEMBL13343520 0.79 NPSR1 (0.46) TSHRILKALDH1A1MAPTHPGD
SCHEMBL9296047 0.79 TSHR (0.58) TSHRILKALDH1A1MAPTHPGD
SCHEMBL9750563 0.79 TSHR (0.58) TSHRILKALDH1A1MAPTHPGD
SCHEMBL20027965 0.79 TSHR (0.58) TSHRILKALDH1A1MAPTHPGD
SCHEMBL9332640 0.76 TSHR (0.55) TSHRILKALDH1A1MAPTGAA
SCHEMBL9332630 0.75 TSHR (0.54) TSHRILKALDH1A1MAPTHPGD
SCHEMBL31299616 0.74 TSHR (0.53) TSHRILKALDH1A1MAPTHPGD
SCHEMBL7794805 0.73 TSHR (0.78) TSHRILKALDH1A1MAPTHPGD
SCHEMBL28802104 0.73 TSHR (0.52) TSHRILKALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590087-B2 Inhibiting USP36 VALO HEALTH, INC. (US) 2026-03-31 US disclosed
US-20250295652-A1 Inhibitors of Molluscum Contagiosum Infection and Methods Using the Same UNIV PENNSYLVANIA (US) 2025-09-25 US disclosed
CN-114222574-B Inhibition of USP36 瓦洛健康股份有限公司 2024-12-17 CN disclosed
CN-118541359-A Inhibitors of molluscum contagiosum infection and methods of use thereof 宾夕法尼亚大学董事会 2024-08-23 CN disclosed
US-20220213088-A1 INHIBITING USP36 Valo Health, LLC 2022-07-07 US disclosed
US-20220213088-A1 INHIBITING USP36 Valo Health, LLC 2022-07-07 US disclosed
CN-114222574-A Inhibition of USP36 瓦洛健康股份有限公司 2022-03-22 CN disclosed
EP-3962486-A1 INHIBITING USP36 Valo Health, Inc. (US) 2022-03-09 EP disclosed
WO-2020223548-A1 INHIBITING USP36 INTEGRAL EARLY DISCOVERY, INC. (US) 2020-11-05 WO disclosed
WO-2020223548-A1 INHIBITING USP36 INTEGRAL EARLY DISCOVERY, INC. (US) 2020-11-05 WO disclosed
EP-2580207-B1 NITROGEN CONTAINING HETEROARYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-09-27 EP disclosed
US-8703768-B2 Nitrogen containing heteroaryl compounds HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
US-8623866-B2 2014-01-07 US disclosed
EP-2580207-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-04-17 EP disclosed
WO-2011154327-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 WO disclosed
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-15 US disclosed
CN-101973959-A 4-methyl-1,2,3-thiadiazole-5-formyl urea compounds and preparation method and application thereof LIER CHEMICAL CO LTD 2011-02-16 CN disclosed
US-4142046-A BACTERICIDES, 7-AMINO-CEPHALOSPORINS SMITHKLINE CORPORATION (US) 1979-02-27 US disclosed
US-4060610-A Pharmaceutical compositions comprising 7-acyl-3-(substituted triazolyl thiomethyl)-cephalosporins and methods of treating bacterial infections SMITHKLINE CORPORATION (US) 1977-11-29 US disclosed
US-3989694-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1976-11-02 US 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-20250295652-A1 Inhibitors of Molluscum Contagiosum Infection and Methods Using the Same ITCH, EIF2AK2, TBK1 TSHR 4881/4885ILK 177/4885ALDH1A1 3761/4885
US-20110306589-A1 NITROGEN CONTAINING HETEROARYL COMPOUNDS PDE10A, PDE3A, PDE2A TSHR 1037/4885ILK 4369/4885ALDH1A1 271/4885
US-20220213088-A1 INHIBITING USP36 USP36, USP30, USP39 TSHR 3984/4885ILK 4247/4885ALDH1A1 1508/4885
US-12590087-B2 Inhibiting USP36 USP36, USP39, USP30 TSHR 871/4885ILK 4096/4885ALDH1A1 1869/4885

“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.