SCHEMBL4048611

SCHEMBL4048611

Fc1ccc2cc[nH]c2c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 1.00
RIPK1 Q13546 1/20 1.00
AHR P35869 5/20 0.47
CMA1 P23946 1/20 0.42
AR P10275 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
F7 P08709 1/20 0.38
LTA4H P09960 1/20 0.38
F3 P13726 1/20 0.38
NR4A2 P43354 1/20 0.38
CHEK1 O14757 1/20 0.34
NR3C1 P04150 1/20 0.34
BRD4 O60885 1/20 0.33
TAF1 P21675 1/20 0.33
BRPF1 P55201 1/20 0.33
CREBBP Q92793 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
GRM5 P41594 1/20 0.33
KEAP1 Q14145 1/20 0.33

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
Ethoxycarbonyl Group SCHEMBL27343271 0.80 RIPK1 (0.64) TNFRIPK1AHRAR
SCHEMBL2537028 0.77 TNF (0.63) TNFRIPK1AHRCMA1AR
SCHEMBL476686 0.77 TNF (0.63) TNFRIPK1AHRCMA1F7
SCHEMBL30260903 0.77 TNF (0.63) TNFRIPK1AHRCMA1F7
SCHEMBL30260939 0.77 TNF (0.63) TNFRIPK1AHRCMA1AR
SCHEMBL31677511 0.76 TNF (0.61) TNFRIPK1AHRCMA1AR
SCHEMBL15662861 0.74 TNF (0.59) TNFRIPK1AHRCMA1F7
SCHEMBL2535332 0.74 TNF (0.59) TNFRIPK1AHRCMA1GPR84
SCHEMBL21863271 0.74 TNF (0.59) TNFRIPK1AHRCMA1AR
SCHEMBL6500542 0.74 TNF (0.59) TNFRIPK1AHRCMA1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4744661-A2 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2026-05-20 EP disclosed
US-20260116857-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOFS PARDES BIOSCIENCES INC (US) 2026-04-30 US disclosed
EP-4298092-B1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-11-26 EP disclosed
US-12145911-B2 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2024-11-19 US disclosed
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
US-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC 2024-08-29 US disclosed
US-12071404-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides UCB PHARMA GMBH (DE) 2024-08-27 US disclosed
US-20240270693-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2024-08-15 US disclosed
US-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-25 US disclosed
EP-4298092-A1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-01-03 EP disclosed
WO-2016094846-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-16 WO disclosed
US-20160168128-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-16 US disclosed
WO-2015154169-A1 BINDING FUNCTION3 (BF3) SITE COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-10-15 WO disclosed
WO-2009103719-A1 SUBSTITUTED 4-(INDOL-3-YL)QUINAZOLINES AND USE AND PRODUCTION THEREOF FREIE UNIVERSITÄT BERLIN (DE) 2009-08-27 WO disclosed
EP-1846396-A2 SUBSTITUTED 4-(INDOL-3-YL)QUINAZOLINES AND THEIR USE Freie Universität Berlin (DE) 2007-10-24 EP disclosed
WO-2006084882-A2 SUBSTITUTED 4-(INDOL-3-YL)QUINAZOLINES AND THEIR USE FREIE UNIVERSITÄT BERLIN (DE) 2006-08-17 WO disclosed
CN-1061341-C 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 2001-01-31 CN disclosed
US-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
CN-1105988-A 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 1995-08-02 CN disclosed
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 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 (7 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-20260116857-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOFS CTRC, CTRL, CTSL TNF 4753/4885RIPK1 2397/4885AHR 3356/4885
US-20160168128-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 TNF 2/4885RIPK1 198/4885AHR 4506/4885
US-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY TNF, TNFRSF1A, CD40 TNF 1/4885RIPK1 40/4885AHR 1026/4885
US-20240270693-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL TNF 4580/4885RIPK1 1042/4885AHR 4170/4885
US-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES GPR17, GPR27, GPR119 TNF 4364/4885RIPK1 2910/4885AHR 207/4885
US-12071404-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides GPR17, GPR18, GPR27 TNF 3656/4885RIPK1 1954/4885AHR 88/4885
US-12145911-B2 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL TNF 4580/4885RIPK1 1042/4885AHR 4170/4885

“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.