SCHEMBL516379

SCHEMBL516379

CCCc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 1.00
ALDH1A1 P00352 5/20 0.75
CYP3A4 P08684 3/20 0.75
HSD17B10 Q99714 2/20 0.66
CASP1 P29466 1/20 0.66
CASP7 P55210 1/20 0.66
CYP2C19 P33261 4/20 0.64
CYP1A2 P05177 1/20 0.64
ALOX15 P16050 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2D6 P10635 1/20 0.59
NR2F2 P24468 1/20 0.57
PABPC1 P11940 1/20 0.56

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
SCHEMBL9406540 0.91 POLB (0.83) POLBALDH1A1CYP3A4HSD17B10CASP1
SCHEMBL9844925 0.89 POLB (0.81) POLBALDH1A1CYP3A4HSD17B10CASP1
SCHEMBL16084377 0.88 POLB (0.78) POLBALDH1A1CYP3A4HSD17B10CASP1
SCHEMBL4222552 0.88 POLB (0.78) POLBALDH1A1CYP3A4HSD17B10CASP1
SCHEMBL10394217 0.88 POLB (0.78) POLBALDH1A1CYP3A4HSD17B10CASP1
SCHEMBL21765989 0.87 POLB (0.77) POLBALDH1A1CYP3A4HSD17B10CASP1
SCHEMBL515773 0.87 POLB (0.77) POLBALDH1A1CYP3A4HSD17B10CASP1
SCHEMBL3455612 0.86 POLB (0.75) POLBALDH1A1CYP3A4HSD17B10CASP1
SCHEMBL22521846 0.86 ALDH1A1 (1.00) POLBALDH1A1CYP3A4HSD17B10CASP1
SCHEMBL1978269 0.86 POLB (0.75) POLBALDH1A1CYP3A4HSD17B10CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167566-A4 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. SUNSHINE ABRAHAM (US) 1987-06-29 EP claimed
EP-0165308-A4 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1986-05-16 EP claimed
US-4567183-A SYNERGISTIC, POTENTIATION ANALGESIC ASSOCIATES (US) 1986-01-28 US claimed
EP-0167566-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE, Abraham (US) 1986-01-15 EP claimed
EP-0165308-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1985-12-27 EP claimed
US-4558051-A Analgesic and anti-inflammatory compositions comprising xanthines and methods of using same RICHARDSON-VICKS, INC. (US) 1985-12-10 US claimed
WO-1985002540-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME RICHARDSON-VICKS, INC. (US) 1985-06-20 WO claimed
WO-1985002542-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE ABRAHAM 1985-06-20 WO claimed
US-20250386846-A1 Food Compositions Including Aragonite NANT HOLDINGS IP LLC (US) 2025-12-25 US disclosed
US-12419336-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2025-09-23 US disclosed
US-20250194654-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2025-06-19 US disclosed
US-12310392-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2025-05-27 US disclosed
US-20240381918-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2024-11-21 US disclosed
US-12089621-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2024-09-17 US disclosed
US-5824684-A Method for treating drug and alcohol addiction SYNAPSE PHARMACEUTICALS INTERNATIONAL, INC. (CA) 1998-10-20 US disclosed
WO-1998034615-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF SYNAPTIC DYSFUNCTION COMPRISING AN OXIME SYNAPSE PHARMACEUTICALS INTERNATIONAL, INC. (CA) 1998-08-13 WO disclosed
US-5760049-A Method for controlling tobacco use and alleviating withdrawal symptoms due to cessation of tobacco use SYNAPSE PHARMACEUTICALS INTERNATIONAL, INC. (CA) 1998-06-02 US disclosed
EP-0358951-A1 Powdery hydrophilic formulation of theophylline, and process for preparing it BASF Aktiengesellschaft (DE) 1990-03-21 EP disclosed
US-4364922-A ATRIOVENTRICULAR CONDUCTION BLOCK UNIVERSITY OF VIRGINIA ALUMNI PATENTS FOUNDATION (US) 1982-12-21 US disclosed
US-4348397-A ENHANCED RETENTION OF ANTIASTHMA AGENT RESEARCH CORPORATION (US) 1982-09-07 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 (1 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-20250386846-A1 Food Compositions Including Aragonite PLCG2, PLCG1, PLCB3 POLB 4333/4885ALDH1A1 4338/4885CYP3A4 4435/4885

“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.