SCHEMBL838583

SCHEMBL838583

O=C1NC(=S)NC1Cc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 1.00
MAPT P10636 4/20 0.63
TP53 P04637 1/20 0.63
GLA P06280 1/20 0.63
CYP3A4 P08684 1/20 0.63
THRB P10828 1/20 0.63
RIPK1 Q13546 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HSD17B10 Q99714 1/20 0.63
GSK3B P49841 2/20 0.61
KMT2A Q03164 6/20 0.58
MEN1 O00255 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
TNF P01375 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL29575729 1.00 IDO1 (1.00) IDO1MAPTTP53GLACYP3A4
SCHEMBL25366253 1.00 IDO1 (1.00) IDO1MAPTTP53GLACYP3A4
SCHEMBL17867048 0.87 IDO1 (0.76) IDO1MAPTTP53GLACYP3A4
SCHEMBL12809540 0.87 IDO1 (0.76) IDO1MAPTTP53GLACYP3A4
SCHEMBL14595068 0.87 IDO1 (0.76) IDO1MAPTTP53GLACYP3A4
SCHEMBL2042419 0.87 IDO1 (0.76) IDO1MAPTTP53GLACYP3A4
SCHEMBL13399673 0.87 IDO1 (0.76) IDO1MAPTTP53GLACYP3A4
SCHEMBL28884409 0.86 IDO1 (0.75) IDO1MAPTTP53GLACYP3A4
SCHEMBL838519 0.86 IDO1 (0.75) IDO1MAPTTP53GLACYP3A4
Potassium SCHEMBL837807 0.84 IDO1 (0.73) IDO1MAPTTP53GLACYP3A4

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277538-A1 THERAPEUTICS FOR THE TREATMENT OF FSHD UCL BUSINESS LTD (GB) 2023-09-07 US claimed
EP-3180014-A1 PREVENTION OF TUMOUR METASTASIS BY INHIBITION OF NECROPTOSIS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-06-21 EP claimed
WO-2016023918-A1 PREVENTION OF TUMOUR METASTASIS BY INHIBITION OF NECROPTOSIS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-02-18 WO claimed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
EP-4046635-A9 COMPOSITION, COMPRISING RIP KINASE INHIBITOR, FOR PREVENTING HAIR LOSS OR PROMOTING HAIR REGROWTH Epi Biotech Co., Ltd. (KR) 2023-10-11 EP disclosed
US-20230277538-A1 THERAPEUTICS FOR THE TREATMENT OF FSHD UCL BUSINESS LTD (GB) 2023-09-07 US disclosed
CN-116568675-A Cyclic isothiourea derivatives as CXCR4 modulators 埃尔米乌治疗公司 2023-08-08 CN disclosed
US-20230241031-A1 Composition, Comprising Rip Kinase Inhibitor, For Preventing Hair Loss Or Promoting Hair Regrowth EPI BIOTECH CO., LTD. (KR) 2023-08-03 US disclosed
US-20230241031-A1 Composition, Comprising Rip Kinase Inhibitor, For Preventing Hair Loss Or Promoting Hair Regrowth EPI BIOTECH CO., LTD. (KR) 2023-08-03 US disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 EP disclosed
WO-2022064075-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2022-03-31 WO disclosed
US-20110144169-A1 Inhibitors of cellular necrosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-16 US disclosed
US-20110144169-A1 Inhibitors of cellular necrosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-16 US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
US-7491743-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-02-17 US disclosed
WO-2007075772-A2 COMPOUNDS, SCREENS, AND METHODS OF TREATMENT PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-05 WO disclosed
EP-1663184-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-06-07 EP disclosed
WO-2005077344-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-08-25 WO disclosed
US-20050119260-A1 Inhibitors of cellular necrosis BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-06-02 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-20050119260-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD IDO1 2000/4885MAPT 831/4885TP53 516/4885
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 IDO1 646/4885MAPT 4710/4885TP53 4267/4885
US-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD IDO1 2000/4885MAPT 831/4885TP53 516/4885
US-20230241031-A1 Composition, Comprising Rip Kinase Inhibitor, For Preventing Hair Loss Or Promoting Hair Regrowth RIPK1, RIPK2, RIPK4 IDO1 1517/4885MAPT 3266/4885TP53 2123/4885

“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.